SCHEMBL8532502

SCHEMBL8532502

C=C(c1cc(OCc2ccccc2)ccc1OC(C)=O)c1cc2ccccc2n1C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.56
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SRD5A1 P18405 1/20 0.44
MAOB P27338 2/20 0.43
MCL1 Q07820 2/20 0.43
PTPN1 P18031 1/20 0.41
BCL2 P10415 1/20 0.40
BID P55957 1/20 0.40
ALOX5 P09917 1/20 0.39

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
SCHEMBL8534428 0.83 SRD5A2 (0.57) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL8531046 0.81 MCL1 (0.51) MEN1NPC1RAB9AKMT2AMCL1
SCHEMBL8534277 0.80 MCL1 (0.46) MEN1KMT2AMCL1
SCHEMBL8531608 0.80 MCL1 (0.46) MEN1NPC1RAB9AKMT2AMCL1
SCHEMBL6994512 0.77 SRD5A2 (0.51) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL6994514 0.77 SRD5A2 (0.51) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL8534337 0.75 SRD5A2 (0.46) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL4470968 0.73 SRD5A2 (1.00) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL8000403 0.72 MAOB (0.57) SRD5A2MEN1KMT2AMAOBPTPN1
SCHEMBL4363943 0.72 MAOB (0.57) SRD5A2MEN1NPC1RAB9AKMT2A

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-5728709-A COAGULANTS AND ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-03-17 US disclosed