SCHEMBL9488235

SCHEMBL9488235

COc1cc(OC)c(OS(=O)(=O)NC(=O)Nc2c(C(C)C)cccc2C(C)C)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.60

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
SCHEMBL9488996 0.91 LPAR1 (0.60) LPAR1
SCHEMBL9450955 0.86 NLRP3 (0.49)
SCHEMBL9333045 0.84
SCHEMBL9450951 0.81 NLRP3 (0.57)
SCHEMBL9490627 0.80 NLRP3 (0.53)
SCHEMBL7568016 0.76 SOAT2 (0.69)
SCHEMBL9450965 0.75 NLRP3 (0.49)
SCHEMBL9452042 0.73 KMT2A (0.42)
SCHEMBL9330447 0.73 LPAR1 (0.54) LPAR1
SCHEMBL8962519 0.72 LPAR1 (0.47) LPAR1

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