SCHEMBL9701141

SCHEMBL9701141

CCC(=O)OC[C@H]1O[C@H]1CCCCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.38
PRKCA P17252 3/20 0.35
PRKCE Q02156 3/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCZ Q05513 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKD1 Q15139 1/20 0.35
NAAA Q02083 1/20 0.33

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
SCHEMBL9593341 1.00 TLR4 (0.38) TLR4PRKCAPRKCEPRKD3PRKCG
SCHEMBL8972916 1.00 TLR4 (0.38) TLR4PRKCAPRKCEPRKD3PRKCG
SCHEMBL9591645 0.89 PRKCA (0.40) TLR4PRKCAPRKCEPRKD3PRKCG
SCHEMBL8972452 0.89 PRKCA (0.40) TLR4PRKCAPRKCEPRKD3PRKCG
SCHEMBL8972434 0.87 PRKCA (0.41) TLR4PRKCAPRKCE
SCHEMBL8972911 0.84 MAPT (0.47) TLR4PRKCAPRKCE
SCHEMBL9701017 0.84 PTPN1 (0.38)
SCHEMBL9592142 0.84 PTPN1 (0.38)
SCHEMBL10071451 0.76 NAAA (0.36) TLR4PRKCAPRKCEPRKD3PRKCG
SCHEMBL9615853 0.75 ALDH1A1 (0.47)

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-0484063-A2 Process for preparing optically active epoxy alcohols Nitto Denko Co. Ltd. (JP) 1992-05-06 EP disclosed