SCHEMBL5250252

SCHEMBL5250252

COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccc(OC)c(OC)c2)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.66
HSP90AA1 P07900 1/20 0.56
GSK3A P49840 9/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SRC P12931 9/20 0.51
SYK P43405 8/20 0.51
MAPT P10636 1/20 0.50
RECQL P46063 1/20 0.50
LPAR1 Q92633 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
SCHEMBL14459475 0.87 MAPK14 (0.60) MAPK14HSP90AA1GSK3AKDM4EALDH1A1
SCHEMBL5252206 0.86 MAPK14 (0.59) MAPK14GSK3ASRCSYK
SCHEMBL5251975 0.86 MAPK14 (0.61) MAPK14GSK3ASRCSYK
SCHEMBL6298728 0.86 MAPK14 (0.59) MAPK14HSP90AA1GSK3ASRCSYK
SCHEMBL5249406 0.85 MAPK14 (0.60) MAPK14GSK3ASRCSYK
SCHEMBL5252017 0.85 MAPK14 (0.62) MAPK14GSK3ASRCSYK
SCHEMBL6298551 0.82 MAPK14 (0.62) MAPK14HSP90AA1GSK3AKDM4EALDH1A1
SCHEMBL5253228 0.82 MAPK14 (0.76) MAPK14GSK3ASRCSYK
SCHEMBL5255018 0.82 MAPK14 (0.67) MAPK14HSP90AA1GSK3AKDM4EALDH1A1
SCHEMBL6299768 0.80 MAPK14 (0.59) MAPK14GSK3ASRCSYK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1232150-B1 UREA DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2007-10-10 EP disclosed
US-7241758-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-7241758-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-7241758-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-6492393-B1 SUCH AS 1-(5-TERT-BUTYL-2-METHOXYPHENYL)-3-(4-(2-METHOXY-PYRIDIN-4YL-OXY)-NAPHTHALEN-1-YL)-UREA; CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-12-10 US disclosed