SCHEMBL24300875

SCHEMBL24300875

CCCc1ccc(-c2ccc(-c3ccc(OCC4CCCC4)s3)c(F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 2/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ RARB P10826 3/20 0.32
▸ RARA P10276 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PARP10 Q53GL7 1/20 0.31
▸ PTGS2 P35354 3/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ FFAR4 Q5NUL3 3/20 0.30
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ MGLL Q99685 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
SCHEMBL24300882 0.98 FEN1 (0.33) FEN1ALOX5APS1PR1RARBRARA
SCHEMBL24300867 0.96 FEN1 (0.36) FEN1ALOX5APS1PR1RARBRARA
SCHEMBL24300935 0.92 FEN1 (0.34) FEN1ALOX5APS1PR1PARP10PTGS2
SCHEMBL24300871 0.91 HDAC3 (0.35) FEN1ALOX5APRARBRARARARG
SCHEMBL24300969 0.89 FEN1 (0.34) FEN1ALOX5APS1PR1PARP10FFAR4
SCHEMBL24300679 0.88 NPC1 (0.32) RARBRARARARGNPC1TP53
SCHEMBL24300659 0.87 MEN1 (0.32) FEN1ALOX5AP
SCHEMBL24300933 0.87 FEN1 (0.37) FEN1ALOX5APS1PR1FFAR4
SCHEMBL24300948 0.87 KDM1A (0.39) FEN1ALOX5APPARP10PTGS2PTGS1
SCHEMBL24300677 0.85 ALOX5AP (0.34) FEN1ALOX5APRARBRARARARG

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
WO-2022068499-A1 THIOPHENE-CONTAINING LIQUID CRYSTAL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 北京八亿时空液晶科技股份有限公司 2022-04-07 — — WO disclosed
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