SCHEMBL5199396

SCHEMBL5199396

CCOC(=O)c1ccc(CC(C)Cc2ccc(OCc3ccccn3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
PARP10 Q53GL7 1/20 0.54
ALDH1A1 P00352 5/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 2/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
PGR P06401 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
PPARG P37231 1/20 0.48
LPAR3 Q9UBY5 1/20 0.46
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL3648379 0.89 PARP10 (0.66) PARP10ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2245978 0.84 PARP10 (0.54) MAOBPARP10ALDH1A1NPC1RAB9A
SCHEMBL2244062 0.82 PARP10 (0.51) MAOBPARP10ALDH1A1NPC1RAB9A
SCHEMBL2243517 0.80 ALOX5 (0.51) MAOBPARP10ALDH1A1NPC1RAB9A
SCHEMBL977323 0.80 PARP10 (0.54) PARP10ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL22061729 0.80 MAOB (0.55) MAOBPARP10ALDH1A1NPC1RAB9A
SCHEMBL16429583 0.80 MAOB (0.55) MAOBPARP10ALDH1A1NPC1RAB9A
SCHEMBL975702 0.79 PARP10 (0.50) MAOBPARP10ALDH1A1NPC1RAB9A
SCHEMBL2246369 0.79 PARP10 (0.50) MAOBPARP10ALDH1A1NPC1RAB9A
SCHEMBL13248356 0.78 PARP10 (0.49) MAOBPARP10ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814877-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS Merck & Co., Inc. (US) 2007-08-08 EP disclosed
WO-2006044602-A9 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO INC (US) 2006-06-08 WO disclosed
WO-2006044602-A2 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS MERCK & CO., INC. (US) 2006-04-27 WO disclosed