SCHEMBL8478757

SCHEMBL8478757

CCCc1[c]nc(C)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
DCTPP1 Q9H773 2/20 0.39
PTGS2 P35354 2/20 0.38
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
CRHR1 P34998 1/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36

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
SCHEMBL8474308 0.88 POLB (0.43) POLBGAAPTGS2HEXAHEXB
SCHEMBL8475225 0.85 MAPT (0.44) MAPTPOLBGAACASP3SENP8
SCHEMBL8474965 0.84 ALDH1A1 (0.37) MAPTGAAHEXAHEXBNPC1
SCHEMBL8474614 0.84 HEXA (0.46) MAPTPOLBGAACASP3SENP8
SCHEMBL8480173 0.78 PTGS2 (0.44) MAPTPOLBGAAPTGS2NPC1
SCHEMBL8474655 0.73 HEXA (0.42) MAPTPOLBGAACASP3SENP8
SCHEMBL8478542 0.72 PTGS2 (0.47) MAPTPOLBGAAPTGS2HEXA
SCHEMBL8477183 0.72 MAPT (0.36) MAPTGAANPC1RAB9AKMT2A
SCHEMBL8476303 0.71 HEXA (0.39) HEXAHEXBNPC1RAB9A
SCHEMBL8477582 0.71 MAPT (0.38) MAPTPOLBGAADCTPP1PTGS2

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