SCHEMBL11683063

SCHEMBL11683063

CCC1(CC)CCCC(=O)O1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.56
PRKCA P17252 8/20 0.36
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL1687492 0.86 PRKCA (0.44) SIRT2PRKCALMNA
SCHEMBL30732593 0.84 SIRT2 (0.47) SIRT2PRKCA
SCHEMBL3916209 0.77 SIRT2 (0.42) SIRT2ALDH1A1HPGDLMNATSHR
SCHEMBL18134613 0.77 SIRT2 (0.92) SIRT2PRKCA
SCHEMBL26566738 0.75 PRKCA (0.54) SIRT2PRKCA
SCHEMBL11188189 0.73 SIRT2 (0.39) SIRT2ALDH1A1HPGDLMNATSHR
SCHEMBL11220265 0.73 SIRT2 (1.00) SIRT2PRKCA
Tanikolide SCHEMBL9902905 0.73 SIRT2 (1.00) SIRT2PRKCA
SCHEMBL18134616 0.73 SIRT2 (1.00) SIRT2PRKCA
SCHEMBL18134618 0.73 SIRT2 (1.00) SIRT2PRKCA

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
US-4054569-A CNS DEPRESSANTS, ANTICONVULSIVES, ANTIINFLAMMATORY AYERST MCKENNA & HARRISON LTD. (CA) 1977-10-18 US disclosed
US-3985751-A CNS DEPRESSANTS, ANTICONVULSANT AND ANTIINFLAMMATORY AGENTS AYERST MCKENNA AND HARRISON LTD. (CA) 1976-10-12 US disclosed