SCHEMBL9301142

SCHEMBL9301142

CC(C)(C)OC(=O)COc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SGMS1 Q86VZ5 8/20 0.62
TBXA2R P21731 3/20 0.57
TBXAS1 P24557 2/20 0.57
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 4/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
PPARG P37231 1/20 0.52
HTT P42858 1/20 0.49
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL9129860 0.86 TSHR (0.65) SGMS1TBXA2RTBXAS1MEN1KMT2A
SCHEMBL9301802 0.85 TBXA2R (0.48) SGMS1TBXA2RTBXAS1MEN1KMT2A
SCHEMBL8840163 0.84 TBXA2R (0.79) SGMS1TBXA2RTBXAS1MEN1KMT2A
SCHEMBL9130507 0.83 SGMS1 (0.68) SGMS1TBXA2RTBXAS1MEN1KMT2A
SCHEMBL9303040 0.81 TBXA2R (0.45) SGMS1TBXA2RTBXAS1MEN1KMT2A
SCHEMBL9127591 0.81 SGMS1 (0.76) SGMS1TBXA2RTBXAS1MEN1KMT2A
SCHEMBL9128585 0.80 SGMS1 (0.62) SGMS1TBXA2RTBXAS1MEN1KMT2A
SCHEMBL11342587 0.80 PPARA (0.66) SGMS1TBXA2RMEN1KMT2AALDH1A1
SCHEMBL6695825 0.79 PTGS2 (0.56) MEN1KMT2AALDH1A1CYP2C19SMN1; SMN2
SCHEMBL8840166 0.78 TBXA2R (0.64) SGMS1TBXA2RTBXAS1MEN1KMT2A

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