SCHEMBL12439701

SCHEMBL12439701

COc1ccc(CCCCC(=O)O)cc1C

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.61
FFAR4 Q5NUL3 7/20 0.55
FFAR1 O14842 4/20 0.53
FFAR2 O15552 1/20 0.52
PPARA Q07869 3/20 0.50
SELP P16109 1/20 0.50
ALOX5 P09917 1/20 0.50
PPARG P37231 2/20 0.49
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1453516 0.95 HPGD (0.66) HPGDFFAR4FFAR1FFAR2PPARA
SCHEMBL2776108 0.89 FFAR4 (0.67) HPGDFFAR4FFAR1FFAR2
SCHEMBL7095615 0.88 PPARA (0.59) PPARASELPALOX5PPARG
SCHEMBL7415347 0.86 PPARA (0.58) PPARASELPALOX5PPARGMAPT
SCHEMBL7410835 0.85 GAA (0.65) SELPALOX5GAALMNA
SCHEMBL6172599 0.83 SELP (0.54) HPGDFFAR4FFAR1PPARASELP
SCHEMBL503571 0.83 PLAAT3 (0.61) PPARASELPPPARG
SCHEMBL27575315 0.82 FFAR4 (0.59) HPGDFFAR4FFAR1MAPT
SCHEMBL7824983 0.82 ALOX5 (0.71) ALOX5GAALMNA
SCHEMBL24238653 0.81 HPGD (0.44) HPGDPPARAALOX5PPARGMAPT

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-2011096377-A1 PYRROLE COMPOUND 第一三共株式会社 (JP) 2011-08-11 WO disclosed