SCHEMBL1271004

SCHEMBL1271004

CCCCCCCCSc1nc(Nc2ccccc2O)nc(SCCCCCCCC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ EPHX2 P34913 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ GAA P10253 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PLK1 P53350 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ADORA1 P30542 1/20 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
SCHEMBL31099434 1.00 CCNE1 (0.44) CCNE1CDK2EPHX2PPARGGAA
SCHEMBL11805831 0.83 CCNE1 (0.46) CCNE1CDK2PPARGGAAMAPT
SCHEMBL11808183 0.83 CCNE1 (0.46) CCNE1CDK2PPARGGAAMAPT
SCHEMBL15488498 0.81 CCNE1 (0.38) CCNE1CDK2PPARGMAPTPLK1
SCHEMBL19327103 0.79 TP53 (0.36) CCNE1CDK2PPARGMAPTMAPK1
SCHEMBL1271005 0.78 CCNE1 (0.44) CCNE1CDK2MAPTCYP3A4MAPK1
SCHEMBL30427808 0.77 TP53 (0.37) CCNE1CDK2PPARGMAPTMAPK1
SCHEMBL2043321 0.77 GPR84 (0.35) CCNE1CDK2PPARGMAPTCYP1A2
SCHEMBL19327155 0.77 CCNE1 (0.34) CCNE1CDK2PPARGMAPTMAPK1
SCHEMBL31252527 0.76 CCNE1 (0.37) CCNE1CDK2PPARGMAPTMAPK1

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
WO-2023171578-A1 THERMOPLASTIC RESIN, METHOD FOR PRODUCING SAME, THERMOPLASTIC RESIN COMPOSITION AND MOLDED BODY 三菱瓦斯化学株式会社 2023-09-14 — — WO disclosed
WO-2011014527-A2 SOLID ALKYLARYL PHOSPHITE COMPOSITIONS AND METHODS FOR MANUFACTURING SAME Chemtura Coproration (US) 2011-02-03 — — WO disclosed
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