SCHEMBL9407348

SCHEMBL9407348

COc1ccc(C2(Cl)c3ccccc3Oc3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
TRPA1 O75762 2/20 0.38
CA4 P22748 1/20 0.38
LTA4H P09960 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ACHE P22303 1/20 0.36
P2RX4 Q99571 1/20 0.36
MAPT P10636 1/20 0.35
SCN9A Q15858 2/20 0.35
SLC6A3 Q01959 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MAOA P21397 1/20 0.34

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
SCHEMBL21880277 0.86 LMNA (0.37) LTA4HACHEMAPTMAOA
SCHEMBL5584000 0.81 ATM (0.40) ATMOPRM1OPRL1TRPA1CA4
SCHEMBL5583991 0.80 CHRM3 (0.46) ATMOPRM1OPRL1TRPA1CA4
SCHEMBL30886749 0.80 OPRM1 (0.42) ATMOPRM1OPRL1TRPA1CA4
SCHEMBL30825751 0.80 CHRM3 (0.46) ATMOPRM1OPRL1TRPA1CA4
SCHEMBL3729918 0.80 ALOX5 (0.38) P2RX4MAOAMAOB
SCHEMBL23423294 0.76 ATM (0.37) ATMOPRM1OPRL1TRPA1CA4
SCHEMBL11451696 0.75 MAPT (0.46) MAPTMAOAMAOB
SCHEMBL21204876 0.73 CYP2A6 (0.49) TRPA1MAPT
SCHEMBL31237209 0.72 MAPT (0.43) ATMOPRM1OPRL1CA4LTA4H

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624372-A2 Medicament for treating human immunodeficiency virus NIPPON CHEMIPHAR CO., LTD. (JP) 1994-11-17 EP disclosed
EP-0617046-A1 Nucleoside derivatives and antiherpes composition NIPPON CHEMIPHAR CO., LTD. (JP) 1994-09-28 EP disclosed