SCHEMBL8480104

SCHEMBL8480104

CCc1n[c]c(CCO)c(-c2ccc(C)cc2)c1-c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
USP7 Q93009 1/20 0.35
GCGR P47871 2/20 0.34
DPP4 P27487 5/20 0.32
DPP9 Q86TI2 3/20 0.32
DPP8 Q6V1X1 1/20 0.32
ADORA1 P30542 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8480185 0.88 HEXA (0.42) HEXAHEXBUSP7GCGRDPP4
SCHEMBL8474614 0.72 HEXA (0.46) HEXAHEXBKDM4ENPC1RAB9A
SCHEMBL8475512 0.71 BRD4 (0.35) GCGRKDM4ENPC1ALDH1A1TP53
SCHEMBL8474672 0.68 NPC1 (0.34) HEXAHEXBGCGRDPP4KDM4E
SCHEMBL8474671 0.66 BACE1 (0.33) HEXAHEXBUSP7GCGR
SCHEMBL8478069 0.65 HEXA (0.44) HEXAHEXBGCGRKDM4ENPC1
SCHEMBL8479336 0.65 GCGR (0.31) GCGR
SCHEMBL18095687 0.63 PPARG (0.54) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL8478725 0.62 TP53 (0.35) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL8479519 0.61 PTGS2 (0.33) ALDH1A1

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-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed