SCHEMBL4613053

SCHEMBL4613053

C=CCCCCCCCCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.54
ABCC4 O15439 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.43
REN P00797 1/20 0.43
MVD P53602 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL24701563 1.00 ACE (0.54) ACEABCC4MAPTRAB9AREN
SCHEMBL6562015 1.00 ACE (0.54) ACEABCC4MAPTRAB9AREN
SCHEMBL4478131 1.00 ACE (0.54) ACEABCC4MAPTRAB9AREN
SCHEMBL14586443 0.88 ACE (0.59) ACERAB9ARENMVDCHRM2
SCHEMBL10005864 0.88 ACE (0.59) ACERAB9ARENMVDCHRM2
SCHEMBL10005860 0.88 ACE (0.59) ACERAB9ARENMVDCHRM2
SCHEMBL7298458 0.88 ACE (0.66) ACERENMVDCHRM2CHRM4
SCHEMBL6789458 0.88 ACE (0.66) ACERENMVDCHRM2CHRM4
SCHEMBL6784027 0.88 ACE (0.66) ACERENMVDCHRM2CHRM4
SCHEMBL6789464 0.88 ACE (0.66) ACERENMVDCHRM2CHRM4

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
EP-1471881-B1 USE OF A COMPOUND INACTIVATING THE KINASE A PROTEIN IN A COMPOSITION CONTAINING A COSMETICALLY ACCEPTABLE MEDIUM IN ORDER TO LIGHTEN THE SKIN SEPPIC SA (FR) 2008-10-15 EP disclosed