SCHEMBL27793048

SCHEMBL27793048

CC(C)(C)OC(=O)CCCC(NC(=O)c1ccc(C(c2ccccc2)c2ccccc2)s1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 20/20 0.63

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
SCHEMBL27793047 1.00 C3AR1 (0.63) C3AR1
SCHEMBL27793143 0.92 C3AR1 (0.53) C3AR1
SCHEMBL4428307 0.86 C3AR1 (0.61) C3AR1
SCHEMBL27793044 0.82 C3AR1 (0.74) C3AR1
SCHEMBL4425908 0.82 C3AR1 (0.74) C3AR1
SCHEMBL4438829 0.82 C3AR1 (0.52) C3AR1
SCHEMBL4439638 0.81 C3AR1 (0.52) C3AR1
SCHEMBL4432520 0.81 C3AR1 (0.69) C3AR1
SCHEMBL27772085 0.81 C3AR1 (0.69) C3AR1
SCHEMBL27772120 0.80 C3AR1 (0.47) C3AR1

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
CN-101611008-A C3A receptor modulators and methods of use thereof ENCYSIVE PHARMACEUTICALS INC (US) 2009-12-23 CN disclosed