SCHEMBL7635754

SCHEMBL7635754

CS(=O)(=O)OCCCc1ccc(OCC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.51
ALDH1A1 P00352 1/20 0.50
TBXA2R P21731 1/20 0.50
TBXAS1 P24557 1/20 0.50
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
ALOX15 P16050 1/20 0.45
LPAR1 Q92633 1/20 0.44
LPAR2 Q9HBW0 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL4963463 0.91 ALDH1A1 (0.53) FFAR1ALDH1A1TBXA2RTBXAS1LMNA
SCHEMBL3169528 0.84 PPARA (0.64) LMNAPPARA
SCHEMBL7920958 0.84 GAA (0.57) ALDH1A1TBXAS1SMN1; SMN2ALOX15PPARA
SCHEMBL9813836 0.82 ALDH1A1 (0.53) FFAR1ALDH1A1TBXA2RTBXAS1SMN1; SMN2
SCHEMBL6616437 0.82 NQO1 (0.45) FFAR1ALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL6620386 0.82 CA12 (0.50) FFAR1ALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL6619977 0.81 LMNA (0.53) FFAR1ALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL3164703 0.80 PPARA (0.67) LMNAPPARA
SCHEMBL3187746 0.80 MGLL (0.59) FFAR1SMN1; SMN2
SCHEMBL24041893 0.79 FFAR1 (0.57) FFAR1S1PR1S1PR3

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-6350892-B1 ENZYME INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2002-02-26 US disclosed