SCHEMBL9129003

SCHEMBL9129003

C[C@H](NCCOc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SGMS1 Q86VZ5 5/20 0.57
TBXA2R P21731 3/20 0.57
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TBXAS1 P24557 1/20 0.52
PPARG P37231 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
CA9 Q16790 1/20 0.48
PRMT1 Q99873 2/20 0.47
AKR1C3 P42330 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
SCHEMBL9129731 0.89 TBXA2R (0.67) SGMS1TBXA2RMEN1KMT2APPARG
SCHEMBL9127737 0.88 F2 (0.62) SGMS1TBXA2RTBXAS1PRMT1AKR1C3
SCHEMBL9127032 0.85 TBXA2R (0.64) SGMS1TBXA2RMEN1KMT2APPARG
SCHEMBL9129164 0.81 SGMS1 (0.55) SGMS1TBXA2RMEN1KMT2ATBXAS1
SCHEMBL9129452 0.80 MEN1 (0.58) SGMS1TBXA2RMEN1KMT2APPARG
SCHEMBL8840163 0.80 TBXA2R (0.79) SGMS1TBXA2RMEN1KMT2ATBXAS1
SCHEMBL9128346 0.79 SGMS1 (0.57) SGMS1TBXA2RMEN1KMT2ATBXAS1
SCHEMBL9128779 0.79 F2 (0.51) SGMS1TBXA2RMEN1KMT2AALDH1A1
SCHEMBL9510832 0.79 TBXA2R (0.54) SGMS1TBXA2RMEN1KMT2APPARG
SCHEMBL9128700 0.79 MEN1 (0.65) SGMS1TBXA2RMEN1KMT2ATBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP disclosed
EP-0564499-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1993-10-13 EP disclosed
WO-1992011234-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-07-09 WO disclosed