SCHEMBL27658554

SCHEMBL27658554

CC(C)CCCC(C)(C)CC(N)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
CPT2 P23786 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 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
SCHEMBL3964216 1.00 FFAR1 (0.37) FFAR1CPT2TDP1S1PR2S1PR1
SCHEMBL3955393 0.91 GABRP (0.35) FFAR1CPT2TDP1S1PR2S1PR1
SCHEMBL3962433 0.91 GABRP (0.35) FFAR1CPT2TDP1S1PR2S1PR1
SCHEMBL3967370 0.84 S1PR2 (0.42) FFAR1CPT2TDP1S1PR2S1PR1
SCHEMBL3962194 0.84 S1PR2 (0.42) FFAR1CPT2TDP1S1PR2S1PR1
SCHEMBL3963195 0.83 S1PR2 (0.44) FFAR1CPT2TDP1S1PR2S1PR1
SCHEMBL3961814 0.83 S1PR2 (0.44) FFAR1CPT2TDP1S1PR2S1PR1
SCHEMBL3962147 0.82 CACNA2D1 (0.38) S1PR2S1PR1GABRPGABRDGABRA1
SCHEMBL3965963 0.82 CACNA2D1 (0.38) S1PR2S1PR1GABRPGABRDGABRA1
SCHEMBL3077308 0.80 S1PR2 (0.37) FFAR1CPT2TDP1S1PR2S1PR1

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-1856301-A Curable beta-amino acid WARNER LAMBERT CO (US) 2006-11-01 CN disclosed