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
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