SCHEMBL11119799

SCHEMBL11119799

CCCCCCCCCCC(O)CN1CCC[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.44
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
BCHE P06276 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
REN P00797 1/20 0.39
ACE P12821 1/20 0.39

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
SCHEMBL11122285 1.00 GPR84 (0.44) GPR84FFAR1FFAR4BCHEALDH1A1
SCHEMBL14906337 1.00 GPR84 (0.44) GPR84FFAR1FFAR4BCHEALDH1A1
SCHEMBL11122286 1.00 GPR84 (0.44) GPR84FFAR1FFAR4BCHEALDH1A1
SCHEMBL26121293 0.87 ACE (0.40) BCHEL3MBTL1RENACE
SCHEMBL26121297 0.87 ACE (0.40) BCHEL3MBTL1RENACE
SCHEMBL8674297 0.79 S1PR1 (0.51) BCHEL3MBTL1
SCHEMBL20442187 0.79 S1PR1 (0.51) BCHEL3MBTL1
SCHEMBL9150667 0.79 S1PR1 (0.51) BCHEL3MBTL1
SCHEMBL7263459 0.79 S1PR1 (0.51) BCHEL3MBTL1
SCHEMBL9150671 0.79 S1PR1 (0.51) BCHEL3MBTL1

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-4469875-A SEPARATION OF ENANTIOMERS BY LIQUID CHROMATOGRAPHY DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-09-04 US disclosed