SCHEMBL9718418

SCHEMBL9718418

O=C(O)CCC(=O)c1ccc(CCNS(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.63
ALDH1A1 P00352 4/20 0.62
MAPT P10636 2/20 0.62
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.59
POLB P06746 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
TBXA2R P21731 3/20 0.56
TBXAS1 P24557 2/20 0.56
GAA P10253 1/20 0.52
SGMS1 Q86VZ5 2/20 0.52

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) TAAR1ALDH1A1MAPTTBXA2RTBXAS1
SCHEMBL9659259 0.88 ALDH1A1 (0.71) TAAR1ALDH1A1MAPTTDP1TBXA2R
SCHEMBL9659280 0.88 TBXA2R (0.70) ALDH1A1MAPTTBXA2RTBXAS1
SCHEMBL9660574 0.88 ALDH1A1 (0.68) ALDH1A1MAPTLMNATBXA2RTBXAS1
SCHEMBL9661175 0.88 ALDH1A1 (0.62) ALDH1A1MAPTTDP1TBXA2RTBXAS1
SCHEMBL10699471 0.88 CYP1A2 (0.62) TAAR1ALDH1A1MAPTLMNACYP1A2
SCHEMBL9718387 0.87 ALDH1A1 (0.62) TAAR1ALDH1A1MAPTLMNACYP1A2
SCHEMBL9718408 0.84 ALDH1A1 (0.59) TAAR1ALDH1A1MAPTTBXA2RTBXAS1
SCHEMBL9659378 0.84 LSS (0.60) ALDH1A1MAPTTBXA2RTBXAS1
SCHEMBL9777976 0.84 ALDH1A1 (0.59) TAAR1ALDH1A1MAPTLMNACYP1A2

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
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-4948809-A TREATMENT OF AILMENTS DUE TO THROMBOCYTE AGGREGATION OR KIDNEY DYSFUNCTION BOEHRINGER MANNHEIM GMBH (DE) 1990-08-14 US 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