SCHEMBL8038290

SCHEMBL8038290

CC(=O)N(c1ccc(Oc2ccc(OCC3CCCCC3)cc2)cc1)c1ccccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 5/20 0.44
▸ PARP15 Q460N3 4/20 0.44
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ PTGES O14684 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ PTGIR P43119 3/20 0.40
▸ GPR88 Q9GZN0 2/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ PTGDR Q13258 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ PTPN1 P18031 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
SCHEMBL6405116 0.84 PTPN1 (0.40) PARP10PTGESALOX5FFAR1PTPN1
SCHEMBL8038304 0.84 PTPN1 (0.40) PARP10PTGESALOX5FFAR1PTPN1
SCHEMBL8039546 0.84 PTPN1 (0.40) PARP10PTGESALOX5FFAR1PTPN1
SCHEMBL8039708 0.84 PTPN1 (0.40) PARP10PTGESALOX5FFAR1PTPN1
SCHEMBL8039689 0.83 PTPN1 (0.38) PARP10PTGESALOX5FFAR1PTPN1
SCHEMBL8038284 0.82 ALDH1A1 (0.49) PARP10PTPN1
SCHEMBL8041238 0.80 LTA4H (0.51) PTPN1
SCHEMBL6408806 0.80 ALOX5 (0.50) ALOX5FFAR1PTPN1
SCHEMBL8041220 0.79 MTNR1A (0.41) GPR88PTPN1
SCHEMBL8041172 0.79 TSPO (0.40) PTPN1

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
EP-0806412-B1 BENZENE DERIVATIVES TEIJIN LTD (JP) 2000-04-05 — — EP disclosed
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