SCHEMBL9301802

SCHEMBL9301802

CC(C)(C)OC(=O)COc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TBXAS1 P24557 2/20 0.47
TP53 P04637 1/20 0.46
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
SGMS1 Q86VZ5 2/20 0.46
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL9303040 0.87 TBXA2R (0.45) TBXA2RMEN1KMT2ATBXAS1TP53
SCHEMBL9301142 0.85 SGMS1 (0.62) TBXA2RMEN1KMT2ATBXAS1TP53
SCHEMBL9514132 0.79 TP53 (0.57) TBXA2RTBXAS1TP53GAATSHR
SCHEMBL22396983 0.78 CYP1A2 (0.46) TSHRSMN1; SMN2ALDH1A1
SCHEMBL9510774 0.76 HTT (0.57) TBXA2RKMT2ATBXAS1SGMS1HTT
SCHEMBL9510541 0.74 TBXA2R (0.59) TBXA2RMEN1KMT2ATBXAS1TP53
SCHEMBL12147383 0.72 PTGDR2 (0.47) MEN1KMT2AGAATSHRHTT
SCHEMBL12147253 0.71 HTT (0.58) MEN1KMT2AGAATSHRHTT
SCHEMBL9129860 0.71 TSHR (0.65) TBXA2RMEN1KMT2ATBXAS1TP53
SCHEMBL6968224 0.70 MEN1 (0.63) TBXA2RMEN1KMT2ATP53F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5360909-A THROMBOXANE A2 ANTAGONIST TERUMO KABUSHIKI KAISHA (JP) 1994-11-01 US disclosed
EP-0562796-A1 Phenoxyacetic acid compounds and medical preparations containing them TERUMO KABUSHIKI KAISHA (JP) 1993-09-29 EP disclosed