SCHEMBL16478263

SCHEMBL16478263

CCCCCCCC(OC)C(CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC(OCCC)C(CCCCCCC)OC)OC(=O)CCCCCCCCC(OCCC)C(CCCCCCC)OC)OCCC

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
PRKCA P17252 2/20 0.58
PRKCE Q02156 2/20 0.58
PRKCQ Q04759 2/20 0.58
PRKCD Q05655 2/20 0.58
LPAR3 Q9UBY5 7/20 0.55
ENPP2 Q13822 6/20 0.55
LPAR1 Q92633 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LPAR2 Q9HBW0 2/20 0.54

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
SCHEMBL16478265 0.95 ALDH1A1 (0.63) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL16478264 0.92 ALDH1A1 (0.77) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL16478260 0.85 ALDH1A1 (0.69) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL17681351 0.84 ALDH1A1 (0.64) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL8356370 0.82 ALDH1A1 (0.77) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL25474597 0.81 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL19673951 0.81 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL3147074 0.81 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL22422224 0.81 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL3151121 0.81 ALDH1A1 (0.87) ALDH1A1LMNAPRKCAPRKCEPRKCQ

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
US-8692030-B1 Biobased-petrochemical hybrid polyols PITTSBURG STATE UNIVERSITY (US) 2014-04-08 US disclosed