SCHEMBL4798737

SCHEMBL4798737

CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.58
PTGS1 P23219 1/20 0.58
PTGS2 P35354 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
RAB9A P51151 2/20 0.53
KMT2A Q03164 2/20 0.53
LTB4R Q15722 1/20 0.53
LTB4R2 Q9NPC1 1/20 0.53
MEN1 O00255 1/20 0.53
PPARG P37231 3/20 0.52
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 2/20 0.50
MAPK1 P28482 1/20 0.50
TSPO P30536 1/20 0.50
PPARA Q07869 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
SCHEMBL7190668 0.87 RIPK1 (0.57) RAB9AKMT2AMEN1NPC1SMN1; SMN2
SCHEMBL3014165 0.87 LTB4R (0.67) ALOX5LTB4RLTB4R2PPARG
SCHEMBL22649426 0.86 ALOX5 (0.56) ALOX5PTGS1PTGS2L3MBTL1LTB4R
SCHEMBL4449671 0.83 LTB4R (0.55) ALOX5PTGS1PTGS2L3MBTL1LTB4R
SCHEMBL5314854 0.83 ALOX5 (0.53) ALOX5PTGS1PTGS2L3MBTL1LTB4R
SCHEMBL6418344 0.82 ALOX5 (0.74) ALOX5PTGS1PTGS2L3MBTL1RAB9A
SCHEMBL22513467 0.82 MEN1 (0.51) L3MBTL1KMT2AMEN1
SCHEMBL14558978 0.81 HTT (0.46) RAB9AKMT2ALTB4RLTB4R2MEN1
SCHEMBL25047613 0.81 LTA4H (0.53) ALOX5PTGS1PTGS2L3MBTL1LTB4R
SCHEMBL20131479 0.80 SMN1; SMN2 (0.59) ALOX5L3MBTL1KMT2AMEN1SMN1; SMN2

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-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed
WO-2008096093-A1 OXAZOLE AND THIAZOLE DERIVATIVES AND THEIR USES ARGENTA DISCOVERY LTD. (GB) 2008-08-14 WO disclosed