SCHEMBL8714026

SCHEMBL8714026

CC(Cc1ccccc1)N(CCO)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.49
RRM1 P23921 1/20 0.47
MAOA P21397 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL8713645 0.83 SIGMAR1 (0.44) MAOBMAOASIGMAR1
SCHEMBL8430263 0.81 SIGMAR1 (0.50) MAOBMAOASIGMAR1
SCHEMBL8713821 0.80 ALDH1A1 (0.45) MEN1KMT2A
SCHEMBL8713777 0.79 MAOB (0.43) MAOBMAOASIGMAR1
SCHEMBL8714022 0.77 SIGMAR1 (0.43) MAOBMAOAMEN1KMT2ASIGMAR1
SCHEMBL27735275 0.76 MEN1 (0.47) MAOBRRM1MEN1KMT2ACYP4F2
SCHEMBL8718156 0.76 SIGMAR1 (0.42) MAOAKMT2ASIGMAR1
SCHEMBL8716243 0.75 ACHE (0.46) KMT2ASIGMAR1
SCHEMBL8713177 0.75 SIGMAR1 (0.40) MAOBMAOASIGMAR1
SCHEMBL8714206 0.75 SIGMAR1 (0.44) MAOBMAOASIGMAR1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed