SCHEMBL41570

SCHEMBL41570

[O]C(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
SRC P12931 2/20 0.48
CYP2D6 P10635 1/20 0.48
DPP4 P27487 2/20 0.47
F2 P00734 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
TRPA1 O75762 1/20 0.43
HTR2A P28223 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL3681516 0.88 SLC6A2 (0.50) CES2CES1SRCCYP2D6DPP4
SCHEMBL9240130 0.86 ALDH1A1 (0.47) CES2CES1CYP2D6LMNA
SCHEMBL9239087 0.84 LMNA (0.50) CES2CES1TSHRLMNA
SCHEMBL9180211 0.84 SLC6A3 (0.65) LMNA
SCHEMBL9241722 0.84 IDO1 (0.54) CES2CES1CYP2D6TSHRMAPK1
SCHEMBL8446345 0.80 IDO1 (0.50) CES2CES1LMNA
SCHEMBL2050459 0.79
SCHEMBL4276631 0.79 CES2 (0.50) CES2CES1SRCCYP2D6DPP4
SCHEMBL7593429 0.78 ACP3 (0.61) CES2CES1CYP2D6LMNATRPA1
SCHEMBL9186549 0.78 CFTR (0.63)

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

Appears in 2588 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184972-A CO with side chain containing two double bond functional groups2Base polyester and preparation method thereof 青岛科技大学 2024-06-14 CN claimed
CN-118184973-A Multifunctional CO2Base copolyester and preparation method thereof 青岛科技大学 2024-06-14 CN claimed
CN-117209558-A Use of Mpro protein inhibitors in medicaments for the treatment of novel coronavirus infections 北京大学深圳研究生院 2023-12-12 CN claimed
CN-114409880-B Preparation method of recyclable bio-based polyester 青岛科技大学 2023-09-01 CN claimed
CN-116375993-A Simple method for preparing high molecular weight modifiable copolyester 青岛科技大学 2023-07-04 CN claimed
CN-114276524-B Preparation method of high molecular weight degradable recyclable polyester containing double bond side group 青岛科技大学 2023-04-21 CN claimed
CN-114349939-B Rapid preparation method of recyclable bio-based polyester 青岛科技大学 2023-04-07 CN claimed
CN-106459021-B Compositions and methods for treating neurodegenerative diseases 阿泽范药品公司 2023-04-07 CN claimed
CN-113292532-B Polysubstituted naphthoquinone derivative and preparation method and application thereof 中山大学 2022-06-28 CN claimed
CN-114409880-A Preparation method of recyclable bio-based polyester 青岛科技大学 2022-04-29 CN claimed
US-4012381-A Process for preparing cephalosporins and intermediates SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1977-03-15 US claimed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US claimed
US-3991080-A Prostaglandin intermediates HOFFMANN-LA ROCHE INC. (US) 1976-11-09 US claimed
US-3989695-A 7β-Amino-cepham-3-ol-4-carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1976-11-02 US claimed
US-3989685-A FROM PENICILLIN-1-OXIDE SHINOGI & CO., LTD. (JA) 1976-11-02 US claimed
US-3975406-A Hexahydro-5-oxy-2-loweralkoxy-2H-cyclopenta[b]-furan-4-carbonitrile intermediates for prostaglandins MAYER HANS JOHANN 1976-08-17 US claimed
US-3974185-A Hexahydro-cyclopentano[b]furans having a 2-C.tbd.C containing substituent in the 4-position HOFFMANN-LA ROCHE INC. (US) 1976-08-10 US claimed
US-3970674-A Certain hexahydro-2-loweralkoxy-5-oxycyclopenta [b] furans containing an olefinic substituent in the 4-position HOFFMANN-LA ROCHE INC. (US) 1976-07-20 US claimed
US-3956316-A PROGESTATIONAL AND SALT-RETAINING AGENTS HOFFMANN-LA ROCHE INC. (US) 1976-05-11 US claimed
US-3941799-A 6-Substituted-11b-phenyl-3, 11bH-oxazirino[2,3-d]-s-triazol[4,3-a][1,4]benzodiazepines CIBA-GEIGY CORPORATION (US) 1976-03-02 US claimed