SCHEMBL8570684

SCHEMBL8570684

CCCCCC1=C(C)CCC1=O.CCCCCC=C1CCCC1=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
HIF1A Q16665 1/20 0.33
PRKCA P17252 2/20 0.32
CCR6 P51684 1/20 0.32
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
CDC25C P30307 1/20 0.31
MAPT P10636 1/20 0.30
THRB P10828 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
SCHEMBL8570683 1.00 ALDH1A1 (0.33) ALDH1A1TDP1LMNAPOLBRECQL
SCHEMBL440372 0.84 PRKCA (0.40) PRKCACCR6
SCHEMBL20608590 0.84 PRKCA (0.40) PRKCACCR6
SCHEMBL440371 0.84 PRKCA (0.40) PRKCACCR6
SCHEMBL812328 0.82 PRKCA (0.42) PRKCACCR6
SCHEMBL6902252 0.82 PRKCA (0.42) PRKCACCR6
SCHEMBL20608618 0.82 PRKCA (0.42) PRKCACCR6
SCHEMBL809615 0.82 PRKCA (0.42) PRKCACCR6
SCHEMBL809687 0.82 PRKCA (0.42) PRKCACCR6
SCHEMBL6897541 0.82 PRKCA (0.42) PRKCACCR6

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-0953562-A1 Beta, gamma-unsaturated delta-keto esters Givaudan Roure (International) S.A. (CH) 1999-11-03 EP disclosed