SCHEMBL10697737

SCHEMBL10697737

CCCC(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.63
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
PRMT1 Q99873 2/20 0.58
AKR1C3 P42330 1/20 0.55
PPARG P37231 2/20 0.54
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 1/20 0.52
LSS P48449 1/20 0.51

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
SCHEMBL10463575 0.93 ALDH1A1 (0.61) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL10460469 0.90 TBXA2R (0.66) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL9659280 0.88 TBXA2R (0.70) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL10699471 0.88 CYP1A2 (0.62) TBXA2RMEN1KMT2AALDH1A1LMNA
SCHEMBL9718429 0.87 TBXA2R (0.59) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL10461761 0.86 TBXA2R (0.56) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL10462267 0.85 TBXA2R (0.67) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL10461966 0.84 TBXA2R (0.54) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL9130060 0.83 TBXA2R (0.75) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL9754552 0.82 MEN1 (0.84) TBXA2RMEN1KMT2APRMT1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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