SCHEMBL9324895

SCHEMBL9324895

CCCCCCCCCCCCCCCCCCOc1cc(OCCOc2ccc3ccccc3c2)cc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.51
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.48
PLA2G4B P0C869 3/20 0.47
ALOX5 P09917 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
THRA P10827 1/20 0.46
PTPN11 Q06124 1/20 0.46
HDAC1 Q13547 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL9323915 0.89 PLA2G2A (0.56) PLA2G2ATSHRALDH1A1CYP3A4MAPK1
SCHEMBL9166914 0.88 PLA2G2A (0.57) PLA2G2ATSHRALDH1A1CYP3A4MAPK1
SCHEMBL9167645 0.88 CNR2 (0.53) PLA2G2ATSHRALDH1A1CYP3A4MAPK1
SCHEMBL9402583 0.86 PLA2G2A (0.52) PLA2G2ATSHRALDH1A1CYP3A4MAPK1
SCHEMBL9162948 0.85 PLA2G2A (0.54) PLA2G2ATSHRALDH1A1CYP3A4MAPK1
SCHEMBL9323980 0.85 PLA2G2A (0.72) PLA2G2ATSHRPLA2G4BPTPN11TP53
SCHEMBL9343792 0.85 TDP1 (0.58) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL30036044 0.84 PLA2G2A (0.53) PLA2G2ATSHRALDH1A1CYP3A4MAPK1
SCHEMBL9326297 0.84 NPC1 (0.52) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL8537139 0.84 NPC1 (0.52) TSHRALDH1A1CYP3A4MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374772-A Skin disorders, antiinflammatory agents, cardiovascular disorders HOFFMANN-LAROCHE INC. (US) 1994-12-20 US disclosed
EP-0601385-A1 Disubstituted benzoic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP disclosed