SCHEMBL9576113

SCHEMBL9576113

CCCCCCCCCc1cc(OP(O)O)c(CCCCCCCCC)c(CCCCCCCCC)c1CCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 11/20 0.41
▸ PTGS2 P35354 3/20 0.41
▸ HTR2A P28223 1/20 0.39
▸ TYR P14679 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL9576111 0.87 HTR2A (0.41) ALOX5PTGS2HTR2ATYRTSHR
SCHEMBL8047086 0.84 TYR (0.44) ALOX5PTGS2TYRTSHRMEN1
SCHEMBL10790741 0.84 TYR (0.44) ALOX5PTGS2TYRTSHRMEN1
SCHEMBL130578 0.84 TYR (0.44) ALOX5PTGS2TYRTSHRMEN1
SCHEMBL10883586 0.84 TYR (0.44) ALOX5PTGS2TYRTSHRMEN1
SCHEMBL29358468 0.84 TYR (0.44) ALOX5PTGS2TYRTSHRMEN1
SCHEMBL28888756 0.84 NPC1 (0.46) ALOX5PTGS2CYP3A4HTT
SCHEMBL28952770 0.83 HMGCR (0.41) —
SCHEMBL7074311 0.83 TYR (0.43) ALOX5PTGS2TYRTSHRMEN1
SCHEMBL9298414 0.81 GCGR (0.41) ALOX5PTGS2TYRTSHRMEN1

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
CN-115926169-B Method for producing polysiloxane compound, composition, and molded article 三菱瓦斯化学株式会社 2024-03-22 — — CN disclosed
EP-0527274-A1 Photo-deterioration inhibitor and composition containing the same DAIKYO GOMU SEIKO LTD. (JP) 1993-02-17 — — EP disclosed
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