SCHEMBL5094522

SCHEMBL5094522

CCCCc1cc(COP(=O)(O)CC)cc(CCCC)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 5/20 0.42
▸ ALOX5 P09917 5/20 0.41
▸ PTGS2 P35354 6/20 0.40
▸ TYR P14679 2/20 0.39
▸ EGFR P00533 1/20 0.37
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ HTT P42858 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 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
SCHEMBL28050116 0.89 S1PR1 (0.42) CETPALOX5PTGS2TYREGFR
SCHEMBL3826368 0.85 ALOX5 (0.48) CETPALOX5PTGS2TYRS1PR1
SCHEMBL15809436 0.84 TSHR (0.42) CETPALOX5PTGS2TYREGFR
SCHEMBL17510123 0.84 ALOX5 (0.38) CETPALOX5PTGS2TYREGFR
SCHEMBL17865610 0.84 ALOX5 (0.40) CETPALOX5PTGS2TYREGFR
SCHEMBL10039964 0.82 ALOX5 (0.38) CETPALOX5PTGS2TYREGFR
SCHEMBL7157597 0.79 CYP3A4 (0.37) ALOX5PTGS2EGFRCYP3A4
SCHEMBL13013083 0.79 ALOX5 (0.41) CETPALOX5PTGS2TYREGFR
SCHEMBL2706219 0.79 ALOX5 (0.49) ALOX5PTGS2TYREGFRMAOA
SCHEMBL9502006 0.78 ENPP2 (0.51) ALOX5PTGS2TYREGFRMAOA

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-2008040482-A1 POLYOLEFIN COMPOSITION WITH INCREASED RESISTANCE TO CIO2-CONTAINING WATER BOREALIS TECHNOLOGY OY (FI) 2008-04-10 — — WO disclosed
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