SCHEMBL9510559

SCHEMBL9510559

O=C(O)CCCCCNC(=O)C(F)Oc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.53
TBXAS1 P24557 8/20 0.53
SGMS1 Q86VZ5 2/20 0.50
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL9510823 0.88 TBXA2R (0.58) TBXA2RTBXAS1SGMS1ALDH1A1MAPT
SCHEMBL9510832 0.80 TBXA2R (0.54) TBXA2RSGMS1ALDH1A1MAPT
SCHEMBL9661163 0.80 TBXA2R (0.74) TBXA2RTBXAS1ALDH1A1MAPT
SCHEMBL9130164 0.76 TBXA2R (0.81) TBXA2RTBXAS1ALDH1A1MAPT
SCHEMBL9872413 0.76 TBXA2R (0.75) TBXA2RTBXAS1ALDH1A1
SCHEMBL9870095 0.76 TBXA2R (0.75) TBXA2RTBXAS1ALDH1A1
SCHEMBL9879916 0.76 TBXA2R (0.75) TBXA2RTBXAS1ALDH1A1
SCHEMBL9870233 0.76 TBXA2R (0.75) TBXA2RTBXAS1ALDH1A1
SCHEMBL9869922 0.76 TBXA2R (0.75) TBXA2RTBXAS1ALDH1A1
SCHEMBL9871736 0.76 TBXA2R (0.75) TBXA2RTBXAS1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 EP claimed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 US claimed
EP-0325245-A1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO., LTD. (JP) 1989-07-26 EP claimed