SCHEMBL1461748

SCHEMBL1461748

CCCCCC(C)(N)C=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.43
SMPD1 P17405 4/20 0.42
TSHR P16473 2/20 0.37
GGPS1 O95749 6/20 0.35
EPHX1 P07099 1/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34

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
SCHEMBL13355924 0.78
SCHEMBL28055684 0.78 FDPS (0.45) FDPSSMPD1TSHRGGPS1EPHX1
SCHEMBL21783109 0.78 FDPS (0.45) FDPSSMPD1TSHRGGPS1EPHX1
SCHEMBL12648605 0.77
SCHEMBL24355131 0.77 FDPS (0.40) FDPSSMPD1TSHRGGPS1EPHX1
SCHEMBL27845246 0.76 FDPS (0.47) FDPSSMPD1TSHRGGPS1EPHX1
SCHEMBL23156976 0.76 FDPS (0.39) FDPSSMPD1TSHRGGPS1
SCHEMBL28187132 0.75 TSHR (0.40) FDPSTSHRGGPS1EPHX1ADH1B
SCHEMBL1410542 0.75 TSHR (0.40) FDPSTSHRGGPS1EPHX1ADH1B
SCHEMBL18620869 0.74 TSHR (0.41) TSHR

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
WO-2011028492-A2 SORTASE A INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-10 WO disclosed