SCHEMBL9119989

SCHEMBL9119989

COC(=O)c1ccc(OC)cc1Oc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.64
L3MBTL1 Q9Y468 3/20 0.62
RAB9A P51151 1/20 0.62
MAPT P10636 5/20 0.58
NPSR1 Q6W5P4 1/20 0.58
LMNA P02545 1/20 0.49
ATM Q13315 1/20 0.49
SCN8A Q9UQD0 4/20 0.48
SCN10A Q9Y5Y9 3/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43

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
SCHEMBL9118243 0.89 L3MBTL1 (0.64) CFTRL3MBTL1RAB9AMAPTNPSR1
SCHEMBL8076970 0.84 L3MBTL1 (0.52) CFTRL3MBTL1RAB9AMAPTNPSR1
SCHEMBL1365182 0.84 CFTR (0.64) CFTRL3MBTL1RAB9AMAPTNPSR1
SCHEMBL9118601 0.82 MAPT (0.53) CFTRMAPTNPSR1LMNAALDH1A1
SCHEMBL1364802 0.81 CFTR (0.64) CFTRL3MBTL1RAB9AMAPTNPSR1
Diphenylmethanol SCHEMBL8076973 0.81 L3MBTL1 (0.53) CFTRL3MBTL1RAB9AMAPTNPSR1
SCHEMBL5739338 0.80 ALDH1A1 (0.51) CFTRRAB9AMAPTNPSR1LMNA
SCHEMBL30660552 0.79 CFTR (1.00) CFTRL3MBTL1RAB9AMAPTATM
SCHEMBL1451351 0.79 CFTR (1.00) CFTRL3MBTL1RAB9AMAPTATM
SCHEMBL2978238 0.78 L3MBTL1 (1.00) CFTRL3MBTL1RAB9AMAPTNPSR1

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