SCHEMBL7021746

SCHEMBL7021746

COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(ccc(C)c3C)C2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MAOA P21397 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
P2RX7 Q99572 1/20 0.32
ACHE P22303 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
TUBB1 Q9H4B7 1/20 0.30
KMT2A Q03164 2/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL7967548 0.86 MAPT (0.41) SLC6A4SLC6A3KMT2AMEN1
SCHEMBL7455420 0.71 ACHE (0.37) SLC6A3OPRM1OPRL1ACHEATM
SCHEMBL9114805 0.70 KDM4E (0.40) OPRM1OPRL1P2RX7CA12CA1
SCHEMBL6793677 0.69 KIF11 (0.37) SLC6A4OPRM1OPRL1KMT2AATM
SCHEMBL7229672 0.68 SIGMAR1 (0.38) SLC6A4OPRM1OPRL1KMT2AMEN1
SCHEMBL7118273 0.68 ACHE (0.43) OPRM1OPRL1ACHECA12CA1
SCHEMBL4451118 0.66 ACHE (0.39) SLC6A4SLC6A3OPRM1OPRL1ACHE
SCHEMBL5878004 0.66 GAA (0.37) MAOBSLC6A4SLC6A3MAOA
SCHEMBL5876607 0.63 ALPL (0.34) KMT2AMEN1POLB
SCHEMBL5876108 0.62 POLB (0.43) MAOBSLC6A4SLC6A3MAOAOPRM1

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
EP-0977788-B1 POLYMERIZABLE COMPOSITIONS BASED ON DIFUNCTIONAL MONOMERS, RESINS AND OPHTHALMIC ARTICLES CONTAINING SAME CORNING SA (FR) 2003-07-09 EP disclosed