SCHEMBL11112673

SCHEMBL11112673

CCCCCCCCS(=O)(=O)NCCc1ccc(CCC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
TBXAS1 P24557 2/20 0.53
TBXA2R P21731 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
S1PR1 P21453 3/20 0.51
S1PR3 Q99500 2/20 0.51
S1PR2 O95136 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
SCHEMBL11107638 0.89 ALDH1A1 (0.59) TBXAS1TBXA2RALDH1A1S1PR1S1PR3
SCHEMBL11105772 0.86 RARB (0.57) TBXAS1TBXA2RALDH1A1MAPT
SCHEMBL11104594 0.85 CYP4F2 (0.51) TBXAS1TBXA2RALDH1A1
SCHEMBL11403900 0.84 SMN1; SMN2 (0.48) TBXAS1TBXA2RALDH1A1
SCHEMBL11332902 0.84 TBXA2R (0.58) TBXAS1TBXA2R
SCHEMBL11332214 0.84 TBXA2R (0.58) TBXAS1TBXA2R
SCHEMBL11101691 0.81 KDM4E (0.48) TBXAS1TBXA2RALDH1A1
SCHEMBL11101726 0.81 KDM4E (0.48) TBXAS1TBXA2RALDH1A1
SCHEMBL7824985 0.81 RELA (0.51) FFAR1FFAR4ALDH1A1
SCHEMBL6578156 0.81 RELA (0.51) FFAR1FFAR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443477-A ANTICOAGULANTS, ANTILIPEMIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1984-04-17 US disclosed
EP-0031954-A2 Sulphonamides, process for their preparation and medicines containing these compounds Roche Diagnostics GmbH (DE) 1981-07-15 EP disclosed