SCHEMBL292398

SCHEMBL292398

Cc1[c]c2ccccc2c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.40
CYP2A6 P11509 4/20 0.40
CYP2C19 P33261 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
BACE1 P56817 1/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NQO2 P16083 1/20 0.34
TSHR P16473 2/20 0.33
ACHE P22303 1/20 0.33
PKM P14618 1/20 0.32
BRD4 O60885 1/20 0.31
ATM Q13315 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL16426466 0.78 CYP1A2 (0.38) CYP1A2CYP2A6CYP2C19TNKS2ALDH1A1
SCHEMBL11265175 0.78 CYP1A2 (0.38) CYP1A2CYP2A6CYP2C19TNKS2ALDH1A1
SCHEMBL9652405 0.78 HTT (0.45) CYP1A2ALDH1A1HSD17B10LMNAHTT
SCHEMBL2253481 0.78 HPRT1 (0.35) CYP1A2ACHE
SCHEMBL6601643 0.76 CYP1A2 (0.38) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL4304587 0.76 CYP1A2 (0.44) CYP1A2CYP2A6CYP2C19TNKS2ALDH1A1
SCHEMBL3269033 0.75 CYP1A2 (0.35) CYP1A2CYP2A6CYP2C19TNKS2ALDH1A1
SCHEMBL669061 0.73 CYP1A2 (0.46) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL1214939 0.72 HSD17B10 (0.43) CYP1A2CYP2A6CYP2C19ALDH1A1HPGD
SCHEMBL3859673 0.72 PDK2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101987822-A Organic electroluminescent material and application thereof BEIJING VISIONOX TECHNOLOGY CO 2011-03-23 CN claimed
US-5010082-A Fungicides, microbiocides CIBA-GEIGY CORPORATION (US) 1991-04-23 US claimed
EP-0362135-A2 Parasiticide CIBA-GEIGY AG (CH) 1990-04-04 EP claimed
US-11681222-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2023-06-20 US disclosed
US-20220137508-A9 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2022-05-05 US disclosed
US-20210278764-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2021-09-09 US disclosed
US-11036133-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2021-06-15 US disclosed
US-20200124961-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2020-04-23 US disclosed
US-10620534-B2 Fluorine-containing polymer, purification method, and radiation-sensitive resin composition JSR CORPORATION (JP) 2020-04-14 US disclosed
US-20190278175-A9 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2019-09-12 US disclosed
US-20190025695-A1 FLUORINE-CONTAINING POLYMER, PURIFICATION METHOD, AND RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2019-01-24 US disclosed
EP-0362135-A2 Parasiticide CIBA-GEIGY AG (CH) 1990-04-04 EP disclosed
US-4728669-A PHYTOPHTHORA AND PLASMOPARA CHEVRON RESEARCH COMPANY (US) 1988-03-01 US disclosed
US-4518414-A Thiadiazole derivatives and their use for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1985-05-21 US disclosed
US-4440780-A Fungicidal 3-(N-acyl-N-arylamino)-and 3-(N-thionoacyl-N-arylamino)-gamma-butyrolactones and gamma-thiobutyrolactones CHEVRON RESEARCH COMPANY (US) 1984-04-03 US disclosed
US-4407817-A Fungicidal 3-(N-acyl-N-arylamino)- and 3-(N-thionoacyl-N-arylamino)-gamma-butyrolactones and gamma-thiobutyrolactones CHEVRON RESEARCH COMPANY (US) 1983-10-04 US disclosed
US-4310463-A CHEMICAL INTERMEDIATES CHEVRON RESEARCH (US) 1982-01-12 US disclosed
US-4269849-A ESPECIALLY EFFECTIVE FOR MILDEW INFECTIONS AND THOSE CAUSED BY PHYTOPHTHORA CHEVRON RESEARCH COMPANY (US) 1981-05-26 US disclosed
US-4241078-A Fungicidal 3-(N-acyl-N-arylamino)-gamma-butyrolactones and gamma-butyrothiolactones CHEVRON RESEARCH COMPANY (US) 1980-12-23 US disclosed
US-4139537-A 3-Aryloxy-1-(2- or 4-iminodihydro-1-pyridyl)-2-propanol antiarrhythmic compounds COOPER LABORATORIES, INC. (US) 1979-02-13 US disclosed