SCHEMBL11214435

SCHEMBL11214435

CCCCCC1CC1(CC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
S1PR3 Q99500 2/20 0.35
ALDH1A1 P00352 1/20 0.35
AKR1B1 P15121 1/20 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
SCHEMBL5899762 0.80 ARG1 (0.34) ALOX5ALDH1A1
SCHEMBL6277470 0.78 ARG1 (0.38)
SCHEMBL6799921 0.78 GRM2 (0.33)
SCHEMBL5560856 0.78 GRM2 (0.33)
SCHEMBL17165739 0.75 GRM2 (0.31)
SCHEMBL11136787 0.74 GRM2 (0.53)
SCHEMBL26695374 0.74 ALOX5 (0.43) ALOX5S1PR3ALDH1A1
SCHEMBL8240798 0.73 GRM2 (0.52) ALOX5
SCHEMBL8244081 0.73 GRM2 (0.52) ALOX5
SCHEMBL28874035 0.73 GRM2 (0.52) ALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0015604-B1 COMPOUNDS AND COMPOSITIONS FOR USE IN INHIBITION OF LIPOGENESIS IN MAMMALS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-02-23 EP claimed
EP-0015604-B1 COMPOUNDS AND COMPOSITIONS FOR USE IN INHIBITION OF LIPOGENESIS IN MAMMALS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1983-02-23 EP disclosed