SCHEMBL9488996

SCHEMBL9488996

COc1cccc(OC)c1OS(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.60
NLRP3 Q96P20 1/20 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
SCHEMBL9488235 0.91 LPAR1 (0.60) LPAR1
SCHEMBL9333045 0.88
SCHEMBL9450951 0.85 NLRP3 (0.57) NLRP3
SCHEMBL9490627 0.84 NLRP3 (0.53) NLRP3
SCHEMBL9450955 0.81 NLRP3 (0.49) NLRP3
SCHEMBL9450965 0.79 NLRP3 (0.49) NLRP3
SCHEMBL9452029 0.75 CA1 (0.46)
SCHEMBL7566889 0.75 NLRP3 (0.65) NLRP3
SCHEMBL3947174 0.74 NLRP3 (0.63) NLRP3
SCHEMBL22374026 0.73 NLRP3 (0.53) LPAR1NLRP3

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
US-5198466-A Acylcoenzyme A Inhibitors WARNER-LAMBERT COMPANY (US) 1993-03-30 US disclosed