SCHEMBL10371997

SCHEMBL10371997

O=C(O)CCc1c(-c2ccccc2)n(CCNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.50
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
TBXAS1 P24557 5/20 0.43
CYP19A1 P11511 1/20 0.42
ABCB1 P08183 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10373699 0.87 TBXAS1 (0.52) TBXA2RALDH1A1MAPTTBXAS1
SCHEMBL9874564 0.81 TBXA2R (0.53) TBXA2RALDH1A1MAPTTP53GAA
SCHEMBL9815057 0.79 HDAC3 (0.56) TBXA2RALDH1A1TBXAS1CYP19A1LMNA
SCHEMBL9873565 0.79 TBXA2R (0.51) TBXA2RALDH1A1MAPTTBXAS1CYP19A1
SCHEMBL10373940 0.77 TBXAS1 (0.63) TBXA2RALDH1A1MAPTTBXAS1LMNA
SCHEMBL10375360 0.77 KCNA5 (0.58) TBXA2RALDH1A1MAPTTP53GAA
SCHEMBL10494268 0.73 KCNA5 (0.65) TBXA2RALDH1A1MAPTTP53GAA
SCHEMBL10372656 0.71 KMT2A (0.60) ALDH1A1MAPTTP53GAAPOLB
SCHEMBL10366956 0.71 HDAC3 (0.58) TBXA2RALDH1A1MAPTTBXAS1KDM4E
SCHEMBL9874780 0.71 FABP3 (0.49) TBXA2RALDH1A1MAPTGAACYP19A1

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-0251011-B1 INDOLYL PROPIONIC ACIDS BAYER AG (DE) 1990-10-24 EP disclosed
US-4843091-A Indolylpropionic acids, compositions of, and use thereof to inhibit thrombocyte aggregation BAYER AKTIENGESELLSCHAFT (DE) 1989-06-27 US disclosed
EP-0251011-A1 Indolyl propionic acids BAYER AG (DE) 1988-01-07 EP disclosed