SCHEMBL12857809

SCHEMBL12857809

COc1ccc(C2(c3cccc(C4(c5ccccc5)SCCS4)c3)SCCS2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.49
OPRL1 P41146 5/20 0.49
CYP26B1 Q9NR63 4/20 0.43
CYP26A1 O43174 3/20 0.43
RXRA P19793 2/20 0.43
CA4 P22748 1/20 0.41
LTA4H P09960 2/20 0.40
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
BACE1 P56817 2/20 0.37
TRPA1 O75762 1/20 0.37
KCNH2 Q12809 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
MAOB P27338 2/20 0.37
MAOA P21397 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
SCHEMBL12436889 0.93 OPRM1 (0.54) OPRM1OPRL1CYP26B1CYP26A1RXRA
SCHEMBL12858074 0.91 ACHE (0.46) OPRM1OPRL1CYP26B1CYP26A1RXRA
SCHEMBL27009310 0.89 KDM1A (0.47) OPRM1OPRL1CA4MAPTKMT2A
SCHEMBL18288047 0.86 CA1 (0.48) OPRM1OPRL1CYP26B1CYP26A1RXRA
SCHEMBL12857985 0.85 ACHE (0.43) OPRM1OPRL1CYP26B1CYP26A1RXRA
SCHEMBL12957015 0.83 OPRM1 (0.40) OPRM1OPRL1CYP26B1CYP26A1RXRA
SCHEMBL12857816 0.80 ACHE (0.56) OPRM1OPRL1CYP26B1CYP26A1RXRA
SCHEMBL12857675 0.80 ACHE (0.56) OPRM1OPRL1CYP26B1CYP26A1RXRA
SCHEMBL11616948 0.76 CYP26A1 (0.39) OPRM1OPRL1CYP26B1CYP26A1RXRA
SCHEMBL27009309 0.76 CYP26B1 (0.40) OPRM1OPRL1CYP26B1CYP26A1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963563-B2 Reversible derivatization of poly (aryl ether ketones) CYTEC TECHNOLOGY CORP. (US) 2018-05-08 US disclosed
US-20180030227-A1 REVERSIBLE DERIVATIZATION OF POLY (ARYL ETHER KETONES) CYTEC TECHNOLOGY CORP. (US) 2018-02-01 US disclosed
US-9828478-B2 Reversible derivatization of poly (aryl ether ketones) CYTEC TECHNOLOGY CORP. (US) 2017-11-28 US disclosed
US-20160075840-A1 Reversible Derivatization of Poly (Aryl Ether Ketones) CYTEC TECHNOLOGY CORP. (US) 2016-03-17 US disclosed
US-20110040045-A1 REVERSIBLE DERIVATIZATION OF POLY (ARYL ETHER KETONES) CYTEC TECHNOLOGY CORP. 2011-02-17 US disclosed