SCHEMBL9118243

SCHEMBL9118243

COc1ccc(C(=O)O)c(Oc2ccc(C(F)(F)F)cc2N)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.64
RAB9A P51151 1/20 0.64
MAPT P10636 3/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
CFTR P13569 1/20 0.51
USP2 O75604 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 1/20 0.50
ATM Q13315 1/20 0.50
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
SCN8A Q9UQD0 3/20 0.46
SCN10A Q9Y5Y9 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
POLB P06746 1/20 0.44

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
Diphenylmethanol SCHEMBL8076973 0.91 L3MBTL1 (0.53) L3MBTL1RAB9AMAPTNPSR1KDM4E
SCHEMBL9119989 0.89 CFTR (0.64) L3MBTL1RAB9AMAPTNPSR1KDM4E
SCHEMBL8076970 0.83 L3MBTL1 (0.52) L3MBTL1RAB9AMAPTNPSR1KDM4E
SCHEMBL3833670 0.81 KDM4E (0.59) L3MBTL1RAB9AMAPTNPSR1KDM4E
SCHEMBL9119994 0.80 ALDH1A1 (0.55) L3MBTL1RAB9AMAPTNPSR1KDM4E
SCHEMBL20638893 0.80 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL2978238 0.79 L3MBTL1 (1.00) L3MBTL1RAB9AMAPTNPSR1KDM4E
SCHEMBL5539791 0.78 L3MBTL1 (0.56) L3MBTL1RAB9AMAPTNPSR1KDM4E
SCHEMBL5665279 0.77 AKR1C3 (0.42) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9186824 0.77 MAPT (0.53) L3MBTL1MAPTKDM4ELMNAAKR1C3

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
WO-1995033460-A1 ANTI-INFLAMMATORY COUMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
US-5447957-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORP. (US) 1995-09-05 US disclosed