SCHEMBL7712290

SCHEMBL7712290

C=CCc1ccc(OC(=O)c2ccccc2O)cc1.[CaH2]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.59
HPGD P15428 3/20 0.59
ALOX15 P16050 2/20 0.59
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
TDP1 Q9NUW8 5/20 0.44
CYP3A4 P08684 4/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX12 P18054 1/20 0.42
PTGS2 P35354 1/20 0.42
MAPT P10636 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
PDE4A P27815 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL2052139 0.99 HSD17B10 (0.61) HSD17B10HPGDALOX15ALDH1A1KDM4E
SCHEMBL11378484 0.90 CYP3A4 (0.50) HSD17B10HPGDALOX15ALDH1A1KDM4E
SCHEMBL526114 0.82 TDP1 (0.52) HSD17B10HPGDALOX15ALDH1A1KDM4E
SCHEMBL7614991 0.81 HPGD (0.88) HSD17B10HPGDALOX15ALDH1A1KDM4E
SCHEMBL3883613 0.80 HPGD (0.69) HSD17B10HPGDALOX15ALDH1A1KDM4E
SCHEMBL7712284 0.80 KDM4E (0.55) HSD17B10HPGDALOX15ALDH1A1KDM4E
SCHEMBL24777597 0.80 PTGS2 (0.68) HSD17B10HPGDALOX15ALDH1A1KDM4E
Phenyl Salicylate SCHEMBL9781104 0.79 HPGD (0.73) HSD17B10HPGDALOX15ALDH1A1KDM4E
SCHEMBL1256105 0.79 HSD17B10 (0.72) HSD17B10HPGDALOX15ALDH1A1KDM4E
SCHEMBL9472028 0.79 HPGD (0.67) HSD17B10HPGDALOX15ALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104419502-A Novel extreme-pressure anti-wear agent ZHEJIANG DEZHONG ENERGY CO LTD 2015-03-18 CN claimed
CN-104419502-A Novel extreme-pressure anti-wear agent ZHEJIANG DEZHONG ENERGY CO LTD 2015-03-18 CN disclosed
US-6362136-B1 MIXTURE OF WEAR RESISTANCE COMPOUND; HYDROCARBON MERCAPTAN AND OVERBASED COMPOUND THE LUBRIZOL CORPORATION 2002-03-26 US disclosed
EP-0684298-A2 Compositions for extending seal life, and lubricants and functional fluids containing the same The Lubrizol Corporation (US) 1995-11-29 EP disclosed