SCHEMBL27915399

SCHEMBL27915399

CCCCCCC(C)(O)CNC

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
FDPS P14324 9/20 0.41
GGPS1 O95749 7/20 0.41
SMPD1 P17405 1/20 0.37
LPAR3 Q9UBY5 3/20 0.37
LPAR2 Q9HBW0 1/20 0.37

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
SCHEMBL13130828 0.83 EPHX1 (0.41) EPHX1
SCHEMBL8528159 0.81 FDPS (0.50) FDPSGGPS1SMPD1
SCHEMBL5672619 0.81 FDPS (0.50) FDPSGGPS1SMPD1
SCHEMBL5768532 0.81 FDPS (0.50) FDPSGGPS1SMPD1
SCHEMBL5176670 0.81 FDPS (0.50) FDPSGGPS1SMPD1
SCHEMBL7050980 0.81 FDPS (0.50) FDPSGGPS1SMPD1
SCHEMBL11572196 0.81 FDPS (0.50) FDPSGGPS1SMPD1
SCHEMBL9374930 0.81 FDPS (0.50) FDPSGGPS1SMPD1
SCHEMBL2669436 0.81 FDPS (0.50) FDPSGGPS1SMPD1
SCHEMBL2346921 0.81 FDPS (0.50) FDPSGGPS1SMPD1

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-103037903-A Compositions and methods for treating autoimmune or other diseases CERULEAN PHARMA INC 2013-04-10 CN disclosed