SCHEMBL12676129

SCHEMBL12676129

CCOc1ccc(CCNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.71
TBXAS1 P24557 1/20 0.71
ALDH1A1 P00352 6/20 0.66
POLB P06746 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.62
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
HTT P42858 1/20 0.58
SGMS1 Q86VZ5 3/20 0.57
CA12 O43570 1/20 0.57
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
CA9 Q16790 1/20 0.57

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
SCHEMBL4618234 0.89 TBXA2R (0.58) TBXA2RTBXAS1ALDH1A1POLBSMN1; SMN2
SCHEMBL1287477 0.86 ALDH1A1 (0.68) TBXA2RTBXAS1ALDH1A1POLBCA1
SCHEMBL11379516 0.85 TBXA2R (0.74) TBXA2RTBXAS1ALDH1A1SMN1; SMN2HTT
SCHEMBL4618078 0.84 SFRP1 (0.77) TBXA2RTBXAS1ALDH1A1POLBSMN1; SMN2
SCHEMBL9130476 0.83 TBXA2R (0.68) TBXA2RTBXAS1ALDH1A1POLBSMN1; SMN2
Sulotroban SCHEMBL34187 0.83 TBXA2R (1.00) TBXA2RTBXAS1ALDH1A1POLBCA1
SCHEMBL10460354 0.83 ALDH1A1 (0.70) TBXA2RTBXAS1ALDH1A1POLBSMN1; SMN2
SCHEMBL11361871 0.81 TBXA2R (0.72) TBXA2RTBXAS1ALDH1A1POLBSMN1; SMN2
SCHEMBL11332922 0.81 TBXA2R (0.81) TBXA2RTBXAS1ALDH1A1POLBSMN1; SMN2
SCHEMBL9127040 0.81 TBXA2R (0.81) TBXA2RTBXAS1ALDH1A1POLBCA1

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
WO-2011057262-A2 TREATMENT OF INFECTIONS WITH TP RECEPTOR ANTAGONISTS EVOLVA INC. (US) 2011-05-12 WO disclosed