SCHEMBL11069561

SCHEMBL11069561

CCCCCCCCCCc1cc(OP(O)O)c(C(C)(C)C)c(CCCCCCCCCC)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 12/20 0.40
▸ PTGS2 P35354 4/20 0.37
▸ HTR2A P28223 1/20 0.35
▸ TYR P14679 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9719739 0.94 ALOX5 (0.33) ALOX5PTGS2TYRHTT
SCHEMBL9778023 0.91 ALOX5 (0.36) ALOX5PTGS2HTR2ATYRTSHR
SCHEMBL11062142 0.91 ALOX5 (0.36) ALOX5PTGS2HTR2ATYRTSHR
SCHEMBL9576113 0.79 ALOX5 (0.41) ALOX5PTGS2HTR2ATYRTSHR
SCHEMBL31601473 0.78 ALOX5 (0.34) ALOX5PTGS2TYRTP53CYP3A4
SCHEMBL28898243 0.75 ALOX5 (0.38) ALOX5PTGS2HTR2ATYRTSHR
SCHEMBL29358468 0.73 TYR (0.44) ALOX5PTGS2TYRTSHRMEN1
SCHEMBL130578 0.73 TYR (0.44) ALOX5PTGS2TYRTSHRMEN1
SCHEMBL10790741 0.73 TYR (0.44) ALOX5PTGS2TYRTSHRMEN1
SCHEMBL10883586 0.73 TYR (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4456717-A PHOSPHITES AND SILOXANE-OXETANE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1984-06-26 — — US disclosed
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