SCHEMBL9323915

SCHEMBL9323915

CCCCCCCCCCCCCCCCCCOc1cc(OCCCCCCOc2ccc(OCc3ccccc3)cc2)cc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.56
TSHR P16473 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TP53 P04637 1/20 0.52
PLA2G4B P0C869 4/20 0.51
RARB P10826 1/20 0.49

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
SCHEMBL9166914 0.94 PLA2G2A (0.57) PLA2G2ATSHRALDH1A1CYP3A4MAPK1
SCHEMBL9325282 0.90 PLA2G2A (0.52) PLA2G2ATSHRALDH1A1CYP3A4MAPK1
SCHEMBL9323897 0.89 PLA2G2A (0.54) PLA2G2ATSHRMEN1KMT2ATP53
SCHEMBL9162948 0.89 PLA2G2A (0.54) PLA2G2ATSHRALDH1A1CYP3A4MAPK1
SCHEMBL9324877 0.89 PLA2G2A (0.54) PLA2G2ATSHRMEN1KMT2ATP53
SCHEMBL9325186 0.89 PLA2G2A (0.54) PLA2G2ATSHRMEN1KMT2ATP53
SCHEMBL9167645 0.89 CNR2 (0.53) PLA2G2ATSHRALDH1A1CYP3A4MAPK1
SCHEMBL9324895 0.89 PLA2G2A (0.51) PLA2G2ATSHRALDH1A1CYP3A4MAPK1
SCHEMBL30036044 0.88 PLA2G2A (0.53) PLA2G2ATSHRALDH1A1CYP3A4MAPK1
SCHEMBL9325248 0.88 PLA2G2A (0.70) PLA2G2ATSHRMEN1KMT2ATP53

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