SCHEMBL9417092

SCHEMBL9417092

CCCC(CCCN)P(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.48
FDPS P14324 6/20 0.48
GABBR2 O75899 2/20 0.45
GABBR1 Q9UBS5 2/20 0.45
GABRR1 P24046 1/20 0.45
LAP3 P28838 2/20 0.44
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL6432219 0.85 FDPS (0.60) METAP1FDPSLAP3
SCHEMBL3889795 0.84 FDPS (0.62) METAP1FDPSLAP3
SCHEMBL6123422 0.81 FDPS (0.63) FDPSLAP3
SCHEMBL27670718 0.80 METAP1 (0.54) METAP1FDPSGABBR2GABBR1LAP3
SCHEMBL3886749 0.80 FDPS (0.65) METAP1FDPSLAP3
SCHEMBL8825620 0.78 FDPS (0.62) METAP1FDPSLAP3
SCHEMBL5778166 0.78 FDPS (0.67) FDPSLAP3
Octadecylamine SCHEMBL27742453 0.77 LAP3 (0.55) FDPSLAP3
SCHEMBL11500908 0.76 FDPS (0.68) FDPSLAP3
SCHEMBL16799205 0.76 FDPS (0.68) FDPSLAP3

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
US-5300679-A Antagonists to 4-aminobutyric acid CIBA-GEIGY CORPORATION (US) 1994-04-05 US disclosed