SCHEMBL9250462

SCHEMBL9250462

CCCCCCCCCCCCOc1c(C)cc(C(=O)O)c(C(=O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.48
THRB P10828 4/20 0.48
PLA2G2A P14555 1/20 0.47
PTPN11 Q06124 5/20 0.44
S1PR3 Q99500 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PLA2G4B P0C869 1/20 0.42

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
SCHEMBL29912337 0.82 PLA2G2A (0.49) THRATHRBPLA2G2APTPN11S1PR3
SCHEMBL29912197 0.82 PLA2G2A (0.49) THRATHRBPLA2G2APTPN11S1PR3
Ammonia Solution, Strong SCHEMBL31485710 0.81 PLA2G2A (0.48) THRATHRBPLA2G2APTPN11S1PR3
Ammonia Solution, Strong SCHEMBL31485709 0.81 PLA2G2A (0.48) THRATHRBPLA2G2APTPN11S1PR3
SCHEMBL9851465 0.79 PTPN11 (0.50) THRATHRBPLA2G2APTPN11S1PR3
SCHEMBL25435814 0.79 PLA2G2A (0.46) THRATHRBPLA2G2APTPN11S1PR3
SCHEMBL10537637 0.78 PLA2G2A (0.56) THRATHRBPLA2G2ATP53TSHR
SCHEMBL16429168 0.78 PLA2G2A (0.56) THRATHRBPLA2G2ATP53TSHR
SCHEMBL2358713 0.77 PLA2G2A (0.66) THRATHRBPLA2G2ATP53TSHR
SCHEMBL12379039 0.77 KMT2A (0.41) THRATHRBTP53TSHR

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
EP-0527983-B1 NON-IONIC SURFACE ACTIVE COMPOUNDS KODAK LTD (GB) 1995-02-01 EP disclosed
US-5298191-A For hydrophilic colloids EASTMAN KODAK COMPANY (US) 1994-03-29 US disclosed
EP-0527983-A1 NON-IONIC SURFACE ACTIVE COMPOUNDS. EASTMAN KODAK CO (US) 1993-02-24 EP disclosed
WO-1992015554-A1 NON-IONIC SURFACE ACTIVE COMPOUNDS KODAK LIMITED (GB) 1992-09-17 WO disclosed