SCHEMBL9839254

SCHEMBL9839254

COc1ccc(C2(c3ccccc3)C(c3ccccc3)C2(Cl)Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.46
OPRL1 P41146 2/20 0.46
CA4 P22748 1/20 0.42
MAPT P10636 5/20 0.42
LTA4H P09960 2/20 0.41
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 2/20 0.39
EDNRA P25101 1/20 0.39
MAPK1 P28482 2/20 0.38
TRPA1 O75762 1/20 0.38
MAOB P27338 2/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
MAOA P21397 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8845637 0.98 OPRM1 (0.44) OPRM1OPRL1CA4MAPTLTA4H
SCHEMBL9838108 0.91 LTA4H (0.43) OPRM1OPRL1CA4MAPTLTA4H
SCHEMBL9837820 0.90 CA12 (0.42) OPRM1OPRL1MAPTHSD11B1ALDH1A1
SCHEMBL9839431 0.86 BCHE (0.46) MAOBNPC1RAB9AKMT2A
SCHEMBL9839855 0.86 MAOB (0.41) ALDH1A1MAOBMAOAKMT2A
SCHEMBL9838128 0.83 BCHE (0.46) MAOBNPC1RAB9AKMT2A
SCHEMBL9839168 0.83 LTA4H (0.49) OPRM1MAPTLTA4HNPC1RAB9A
SCHEMBL9839459 0.82 LTA4H (0.47) MAPTLTA4HMAPK1MAOBMAOA
SCHEMBL9839248 0.79 AKR1B1 (0.37) CA4MAPTLTA4HALDH1A1MAOB
SCHEMBL10575136 0.79 AKR1B1 (0.37) CA4MAPTLTA4HALDH1A1MAOB

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-5015666-A With hydroxy or alkoxy substituents on the triarylcyclopropanes Board of Reagents of the University of Oklahoma (US) 1991-05-14 US disclosed