SCHEMBL170049

SCHEMBL170049

C=CCc1ccccc1S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
ALDH1A1 P00352 2/20 0.39
ADRA2C P18825 4/20 0.37
ADRB2 P07550 3/20 0.37
ADRB1 P08588 3/20 0.37
LMNA P02545 2/20 0.37
HTR1A P08908 2/20 0.37
ADRB3 P13945 1/20 0.37
SLC6A2 P23975 1/20 0.37
BDKRB2 P30411 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
KDM4E B2RXH2 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31201870 1.00 GABRA1 (0.47) GABRA1GABRB2ALDH1A1ADRA2CADRB2
SCHEMBL28973499 0.98 GABRA1 (0.45) GABRA1GABRB2ALDH1A1ADRA2CADRB2
SCHEMBL28194954 0.98 GABRA1 (0.45) GABRA1GABRB2ALDH1A1ADRA2CADRB2
SCHEMBL29763626 0.82 GABRA1 (0.56) GABRA1GABRB2ALDH1A1ADRA2CADRB2
SCHEMBL173300 0.82 GABRA1 (0.56) GABRA1GABRB2ALDH1A1ADRA2CADRB2
SCHEMBL2469944 0.80 GABRA1 (0.47) GABRA1GABRB2ALDH1A1ADRA2CADRB2
Benzene SCHEMBL7205309 0.80 GABRA1 (0.47) GABRA1GABRB2ALDH1A1ADRA2CADRB2
Phosphine SCHEMBL28908229 0.79 GABRA1 (0.54) GABRA1GABRB2ALDH1A1ADRA2CADRB2
SCHEMBL10528834 0.79 GABRA1 (0.54) GABRA1GABRB2ALDH1A1ADRA2CADRB2
SCHEMBL19437729 0.79 GABRA1 (0.54) GABRA1GABRB2ALDH1A1ADRA2CADRB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 926 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118684954-A High-voltage cable insulating material containing processing improvement auxiliary agent and preparation method thereof 万华化学(宁波)有限公司 2024-09-24 CN claimed
CN-116444406-B Method for constructing tertiary carbon or quaternary carbon compound by oxygen-sulfur ylide through rearrangement reaction 四川大学 2024-05-07 CN claimed
CN-117042607-A Insecticidal composition containing alkylphenyl sulfide derivative and application thereof 江苏龙灯化学有限公司 2023-11-10 CN claimed
CN-116444406-A Method for constructing tertiary carbon or quaternary carbon compound by oxygen-sulfur ylide through rearrangement reaction 四川大学 2023-07-18 CN claimed
WO-2023065238-A1 INSECTICIDAL COMPOSITION CONTAINING ALKYLPHENYL THIOETHER DERIVATIVE, AND APPLICATION THEREOF 江苏龙灯化学有限公司 2023-04-27 WO claimed
CN-112850685-B Two-dimensional carbon material and preparation method and application thereof 厦门稀土材料研究所 2022-10-18 CN claimed
CN-107075121-B Polysiloxane copolymers or terpolymers and polymers made therefrom 莫门蒂夫性能材料股份有限公司 2021-01-22 CN claimed
CN-109897026-A A kind of new synthetic method of thioxanthones compound 宁波易兮化工科技有限公司 2019-06-18 CN claimed
CN-109518212-A A kind of method of disulfide of the electrochemistry formated with S -- S 新乡市润宇新材料科技有限公司 2019-03-26 CN claimed
CN-109180545-A The synthesis of phenyl phenol acid catalysis molecular oxygen oxidation has the method for the disulfide of S -- S in water phase 郑州大学 2019-01-11 CN claimed
US-4466900-A Process for the preparation of fluorescent brightener formulations which are stable on storage CIBA-GEIGY CORPORATION (US) 1984-08-21 US claimed
EP-0043790-B1 PROCESS FOR INCREASING OR IMPROVING THE WHITENING EFFECT DURING THE OPTICAL BRIGHTENING OF COATING COMPOSITIONS CIBA-GEIGY AG (CH) 1984-07-18 EP claimed
EP-0104473-A1 Phenoxyalkanoic-acid compounds for regulating plant growth BASF Aktiengesellschaft (DE) 1984-04-04 EP claimed
EP-0032483-B1 STABLE AQUEOUS FORMULATIONS OF STILBENE BRIGHTENERS CIBA-GEIGY AG (CH) 1984-02-22 EP claimed
US-4386965-A Process for obtaining coating compositions of improved whiteness CIBA-GEIGY CORPORATION (US) 1983-06-07 US claimed
US-4370144-A Two-phase organic solvent-water dyeing process for polyester fibers CIBA-GEIGY CORPORATION (US) 1983-01-25 US claimed
US-4339238-A Stable aqueous formulations of stilbene fluorescent whitening agents CIBA-GEIGY CORPORATION (US) 1982-07-13 US claimed
US-4299911-A POLYMER CONTAINING AN ETHYLENICALLY UNSATURATED DOUBLE BOND SOMAR MANUFACTURING CO., LTD. (JP) 1981-11-10 US claimed
US-4169799-A CHLORINATED SULFURIZED ALKYLPHENOL AND HIGHLY OVERBASED SULFURIZED CALCIUM ALKYLPHENOLATE ADDITIVES TO IMPROVE WEAR RESISTANCE TEXACO INC. (US) 1979-10-02 US claimed
US-3998845-A CODENSATION OF CONJUGATED DIENES AND SULFUR DIOXIDE, ANTIOXIDANTS TEXAS-U.S. CHEMICAL COMPANY (US) 1976-12-21 US claimed