SCHEMBL10470596

SCHEMBL10470596

COc1ccc2c(c1)OCC(C(C)=Cc1ccccc1)=C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.59
NR1H4 Q96RI1 2/20 0.52
MAOB P27338 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
SHMT2 P34897 1/20 0.41
MTNR1A P48039 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP19A1 P11511 1/20 0.38

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
SCHEMBL10470595 1.00 ALOX5 (0.59) ALOX5NR1H4MAOBNPC1RAB9A
SCHEMBL10470438 0.85 NPC1 (0.59) ALOX5NR1H4MAOBNPC1RAB9A
SCHEMBL10470436 0.85 NPC1 (0.59) ALOX5NR1H4MAOBNPC1RAB9A
SCHEMBL10471722 0.84 ALOX5 (0.58) ALOX5NR1H4MAOBNPC1RAB9A
SCHEMBL10471721 0.84 ALOX5 (0.58) ALOX5NR1H4MAOBNPC1RAB9A
SCHEMBL10472221 0.82 ALOX5 (0.54) ALOX5NR1H4MAOBNPC1RAB9A
SCHEMBL10472220 0.82 ALOX5 (0.54) ALOX5NR1H4MAOBNPC1RAB9A
SCHEMBL10483609 0.81 ALOX5 (0.56) ALOX5MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL10471770 0.81 ALOX5 (0.56) ALOX5MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL10471769 0.81 ALOX5 (0.56) ALOX5MAOBNPC1RAB9ASMN1; SMN2

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-4975455-A ANTITUMOR, ANTICARCINOGENIC AGENT; SKIN DISORDERS ADIR ET CIE (FR) 1990-12-04 US disclosed