SCHEMBL13622892

SCHEMBL13622892

C=C(CC)[C@@H](C)CCCCC

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
OPRM1 P35372 1/20 0.42
FDPS P14324 4/20 0.41
ACE2 Q9BYF1 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
FFAR4 Q5NUL3 1/20 0.36
FFAR1 O14842 1/20 0.36
GPR84 Q9NQS5 2/20 0.35

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
SCHEMBL21064497 1.00 CA1 (0.50) CA1OPRM1FDPSACE2SPHK1
SCHEMBL18508660 0.93 CA1 (0.41) CA1OPRM1FDPSACE2SPHK1
SCHEMBL11388436 0.84 SMN1; SMN2 (0.36) CA1LMNA
SCHEMBL11056750 0.82
SCHEMBL24467918 0.82 CPB2 (0.35) CA1SPHK1
SCHEMBL9856778 0.82 FFAR4 (0.47) CA1FDPSACE2SPHK1LMNA
SCHEMBL7743756 0.82 FFAR4 (0.47) CA1FDPSACE2SPHK1LMNA
SCHEMBL2117652 0.81 ALDH1A1 (0.33) CA1LMNA
SCHEMBL11388470 0.79 TSHR (0.33) CA1
SCHEMBL21028381 0.79 EPHX1 (0.38) CA1

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-20090286745-A1 INHIBITION OF ALPHA-SYNUCLEIN AGGREGATION ZAPALOID LIMITED 2009-11-19 US disclosed