SCHEMBL9303040

SCHEMBL9303040

CC(C)(C)OC(=O)COc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.45
TBXAS1 P24557 1/20 0.45
TP53 P04637 1/20 0.43
SGMS1 Q86VZ5 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
F2 P00734 1/20 0.41
PLG P00747 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
SCHEMBL9301802 0.87 TBXA2R (0.48) TBXA2RTBXAS1TP53SGMS1ALDH1A1
SCHEMBL9301142 0.81 SGMS1 (0.62) TBXA2RTBXAS1TP53SGMS1ALDH1A1
SCHEMBL5008126 0.80 KDM4E (0.57) TP53ALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL9514120 0.79 TBXA2R (0.61) TBXA2RTBXAS1SGMS1POLBALDH1A1
SCHEMBL9301427 0.78 LMNA (0.45) POLBALDH1A1GAAHTTSMN1; SMN2
SCHEMBL9512078 0.78 HTT (0.53) TBXA2RTBXAS1SGMS1POLBALDH1A1
SCHEMBL9514132 0.76 TP53 (0.57) TBXA2RTBXAS1TP53ALDH1A1GAA
SCHEMBL9510541 0.72 TBXA2R (0.59) TBXA2RTBXAS1TP53SGMS1ALDH1A1
SCHEMBL9303178 0.71 ALDH1A1 (0.53) ALDH1A1GAAHTTMEN1KMT2A
SCHEMBL13125981 0.70 S1PR4 (0.52) TP53ALDH1A1HTTSMN1; SMN2MEN1

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