SCHEMBL9129286

SCHEMBL9129286

O=S(=O)(NCCc1cccc(OCCCc2ccccc2O)c1)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.61
PLG P00747 1/20 0.58
TBXA2R P21731 7/20 0.57
SGMS1 Q86VZ5 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
PRMT1 Q99873 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ACLY P53396 1/20 0.46
AKR1C3 P42330 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
SCHEMBL9128145 0.83 F2 (0.68) F2PLGTBXA2RSGMS1ALDH1A1
SCHEMBL9128662 0.82 F2 (0.66) F2PLGTBXA2RSGMS1ALDH1A1
SCHEMBL9131977 0.82 TBXA2R (0.72) F2PLGTBXA2RSGMS1ALDH1A1
SCHEMBL9128510 0.82 F2 (0.67) F2PLGTBXA2RSGMS1ALDH1A1
SCHEMBL9126951 0.82 F2 (0.69) F2PLGTBXA2RSGMS1ALDH1A1
Hydrochloric Acid SCHEMBL9132077 0.81 F2 (0.68) F2PLGTBXA2RSGMS1ALDH1A1
SCHEMBL9128576 0.81 F2 (0.67) F2PLGTBXA2RSGMS1ALDH1A1
SCHEMBL9127309 0.81 F2 (0.83) F2PLGTBXA2RSGMS1ALDH1A1
SCHEMBL1287326 0.80 ALDH1A1 (0.57) TBXA2RALDH1A1TP53GAAPRMT1
SCHEMBL9127524 0.80 F2 (0.66) F2PLGTBXA2RSGMS1AKR1C3

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
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