SCHEMBL8081645

SCHEMBL8081645

CCC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2N)c(C(=O)OC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
ATM Q13315 1/20 0.43
KCNQ3 O43525 3/20 0.40
KCNQ2 O43526 3/20 0.40
CFTR P13569 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.37
SCN8A Q9UQD0 3/20 0.36
SCN10A Q9Y5Y9 3/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
SCN9A Q15858 2/20 0.35

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
SCHEMBL9185703 0.97 L3MBTL1 (0.41) L3MBTL1MAPTLMNAATMKCNQ3
SCHEMBL5720159 0.86 MAPT (0.43) L3MBTL1MAPTLMNAATMKCNQ3
Diphenylmethanol SCHEMBL8081652 0.85 KDM4E (0.43) L3MBTL1MAPTLMNAATMKCNQ3
Diphenylmethanol SCHEMBL9185711 0.85 KDM4E (0.43) L3MBTL1MAPTLMNAATMKCNQ3
SCHEMBL8077096 0.84 CFTR (0.57) L3MBTL1MAPTLMNAATMCFTR
SCHEMBL8077059 0.83 ALDH1A1 (0.51) L3MBTL1MAPTLMNAATMCFTR
SCHEMBL9119780 0.82 L3MBTL1 (0.43) L3MBTL1MAPTLMNAATMNPSR1
SCHEMBL8076935 0.81 CCR2 (0.50) L3MBTL1KCNQ3KCNQ2KDM4E
SCHEMBL8076970 0.80 L3MBTL1 (0.52) L3MBTL1MAPTLMNAATMCFTR
SCHEMBL9188384 0.74 CFTR (0.56) L3MBTL1MAPTLMNAATMCFTR

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-0799198-B1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2000-08-30 EP disclosed
US-5545669-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORPORATION 1996-08-13 US disclosed
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