SCHEMBL9800901

SCHEMBL9800901

CCCCCCCCCCC(C)(C)N=C=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 6/20 0.38
FDPS P14324 9/20 0.36
SMPD1 P17405 2/20 0.35
CES2 O00748 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL8819694 1.00 GGPS1 (0.38) GGPS1FDPSSMPD1CES2LPAR1
SCHEMBL11040924 1.00 GGPS1 (0.38) GGPS1FDPSSMPD1CES2LPAR1
SCHEMBL9123282 1.00 GGPS1 (0.38) GGPS1FDPSSMPD1CES2LPAR1
SCHEMBL11280542 1.00 GGPS1 (0.38) GGPS1FDPSSMPD1CES2LPAR1
SCHEMBL4084299 0.98 FDPS (0.34) GGPS1FDPSSMPD1CES2LPAR1
SCHEMBL11043523 0.91 FDPS (0.31) FDPS
SCHEMBL9322915 0.91 FFAR1 (0.31)
SCHEMBL10840235 0.91 FFAR1 (0.31)
SCHEMBL192803 0.89
SCHEMBL8763158 0.84

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
EP-0297610-B1 N-[(2,6-disubstituted)phenyl]-urea and carbamate inhibitors of acyl-CoA:cholesterol acyl-transferase WARNER-LAMBERT COMPANY (US) 1991-03-13 EP disclosed
EP-0297610-A1 N-[(2,6-disubstituted)phenyl]-urea and carbamate inhibitors of acyl-CoA:cholesterol acyl-transferase WARNER-LAMBERT COMPANY (US) 1989-01-04 EP disclosed