SCHEMBL9660574

SCHEMBL9660574

Cc1ccc(S(=O)(=O)NCCc2ccc(C(=O)CCC(=O)O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
MAPT P10636 2/20 0.62
AKR1C3 P42330 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
TBXA2R P21731 3/20 0.56
TBXAS1 P24557 2/20 0.56
RAB9A P51151 1/20 0.54
USP2 O75604 2/20 0.53
PPARG P37231 1/20 0.53

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
SCHEMBL10463031 0.89 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MAPTTBXA2R
SCHEMBL9659259 0.88 ALDH1A1 (0.71) ALDH1A1MAPTAKR1C3TBXA2RTBXAS1
SCHEMBL9718385 0.88 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1MAPTAKR1C3
SCHEMBL9718418 0.88 TAAR1 (0.63) ALDH1A1MAPTLMNATBXA2RTBXAS1
SCHEMBL9661175 0.88 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MAPTTBXA2R
SCHEMBL9659280 0.88 TBXA2R (0.70) ALDH1A1KMT2AMEN1MAPTAKR1C3
SCHEMBL10463166 0.86 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPTAKR1C3
SCHEMBL9718382 0.85 KMT2A (0.57) ALDH1A1KMT2AMEN1MAPTAKR1C3
SCHEMBL7400490 0.85 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1MAPTAKR1C3
SCHEMBL9659378 0.84 LSS (0.60) ALDH1A1KMT2AMEN1MAPTTBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173500-A Inhibiting thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1992-12-22 US claimed
EP-0260527-A2 Synergetic combination comprising a phosphodiesterase inhibitor and a thromboxan-A2-antagonist, and their use or manufacture Dr. Karl Thomae GmbH (DE) 1988-03-23 EP claimed
US-5173500-A Inhibiting thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1992-12-22 US disclosed
EP-0260527-B1 SYNERGETIC COMBINATION COMPRISING A PHOSPHODIESTERASE INHIBITOR AND A THROMBOXAN-A2-ANTAGONIST, AND THEIR USE OR MANUFACTURE Dr. Karl Thomae GmbH (DE) 1992-04-01 EP disclosed
US-5037990-A Antagonist, antagonism, bronchodilator; antiischemic agents, treatment of cardiovascular disorder, kidney dialysis; and antiulcer agent BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed
EP-0260527-A2 Synergetic combination comprising a phosphodiesterase inhibitor and a thromboxan-A2-antagonist, and their use or manufacture Dr. Karl Thomae GmbH (DE) 1988-03-23 EP disclosed
EP-0194548-A2 Sulfonylaminoethyl compounds, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1986-09-17 EP disclosed