SCHEMBL9873316

SCHEMBL9873316

CCOC(C)c1ccc2c(c1C(=O)OC)Cc1ccccc1O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NR4A2 P43354 1/20 0.34
ACSL1 P33121 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALOX5 P09917 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.33

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
SCHEMBL9870411 0.91 CA12 (0.36) MAOAMAOBACSL1L3MBTL1CA12
SCHEMBL9778781 0.89 ACSL1 (0.38) MAOAMAOBACSL1L3MBTL1ALOX5
SCHEMBL9870549 0.88 ALDH1A1 (0.36) MAOAMAOBACSL1ALDH1A1TSHR
Potassium Ion SCHEMBL9778711 0.87 MAOA (0.35) MAOAMAOBACSL1MAPT
SCHEMBL2141177 0.87 MAOA (0.35) MAOAMAOBACSL1MAPT
SCHEMBL9778612 0.87 MAOA (0.35) MAOAMAOBACSL1MAPT
SCHEMBL9806604 0.87 MAOA (0.35) MAOAMAOBACSL1MAPT
SCHEMBL9308114 0.87 MAOA (0.35) MAOAMAOBACSL1MAPT
SCHEMBL9870715 0.86 TRPA1 (0.40) ACSL1L3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL9869691 0.85 TSHR (0.41) L3MBTL1KDM4EALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026492-A Synergistic; improved wear resistance in internal combustion engines EXXON RESEARCH & ENGINEERING COMPANY (US) 1991-06-25 US disclosed