SCHEMBL12857751

SCHEMBL12857751

COc1ccc(C2(c3ccc(C4(c5ccc(C)cc5)SCCCS4)cc3)SCCCS2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
RELA Q04206 1/20 0.43
KCNA5 P22460 1/20 0.42
RXRA P19793 1/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
BACE1 P56817 2/20 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
SCHEMBL12857832 1.00 ACHE (0.52) ACHERELAKCNA5RXRAMAOB
SCHEMBL12857684 0.95 ACHE (0.47) ACHERELAKCNA5RXRAMAOB
SCHEMBL12857728 0.95 ACHE (0.47) ACHERELAKCNA5RXRAMAOB
SCHEMBL12857741 0.95 ACHE (0.47) ACHERELAKCNA5RXRAMAOB
SCHEMBL12857816 0.93 ACHE (0.56) ACHERELAKCNA5RXRAMAOB
SCHEMBL12857675 0.93 ACHE (0.56) ACHERELAKCNA5RXRAMAOB
SCHEMBL12858076 0.91 ACHE (0.43) ACHERELAKCNA5RXRARAB9A
SCHEMBL12857985 0.91 ACHE (0.43) ACHERELAKCNA5RXRAMAOB
SCHEMBL12858026 0.88 ACHE (0.50) ACHERELAKCNA5MAOBMAOA
SCHEMBL12857680 0.88 ACHE (0.50) ACHERELAKCNA5MAOBMAOA

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