SCHEMBL8972452

SCHEMBL8972452

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.40
PRKCE Q02156 3/20 0.40
TLR4 O00206 1/20 0.40
NLRP3 Q96P20 1/20 0.36
MAPT P10636 1/20 0.34
PRKD3 O94806 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCI P41743 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCZ Q05513 1/20 0.34
PRKCD Q05655 1/20 0.34
PRKD1 Q15139 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DGKA P23743 1/20 0.32

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
SCHEMBL9591645 1.00 PRKCA (0.40) PRKCAPRKCETLR4NLRP3MAPT
SCHEMBL8972434 0.94 PRKCA (0.41) PRKCAPRKCETLR4MAPTCYP3A4
SCHEMBL8972911 0.92 MAPT (0.47) PRKCAPRKCETLR4MAPTALDH1A1
SCHEMBL9593341 0.89 TLR4 (0.38) PRKCAPRKCETLR4PRKD3PRKCG
SCHEMBL8972916 0.89 TLR4 (0.38) PRKCAPRKCETLR4PRKD3PRKCG
SCHEMBL9701141 0.89 TLR4 (0.38) PRKCAPRKCETLR4PRKD3PRKCG
SCHEMBL9592142 0.83 PTPN1 (0.38) MAPTALDH1A1CYP3A4TSHR
SCHEMBL9701017 0.83 PTPN1 (0.38) MAPTALDH1A1CYP3A4TSHR
SCHEMBL11762251 0.82 TLR4 (0.41) TLR4NLRP3DGKA
SCHEMBL1471700 0.81 DGKA (0.53) NLRP3MAPTALDH1A1TSHRDGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484063-B1 Process for preparing optically active epoxy alcohols NITTO DENKO CORP (JP) 1996-03-06 EP disclosed
US-5213975-A METHODS OF PREPARING OPTICALLY ACTIVE EPOXY ALCOHOL NITTO DENKO CO., LTD. (JP) 1993-05-25 US disclosed
EP-0484063-A2 Process for preparing optically active epoxy alcohols Nitto Denko Co. Ltd. (JP) 1992-05-06 EP disclosed