SCHEMBL5138300

SCHEMBL5138300

CC(C)C(C)(C)CCCC=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
TSHR P16473 2/20 0.40
FAAH O00519 2/20 0.33
TRPV1 Q8NER1 2/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL5368752 0.85 ALDH1A1 (0.35) HIF1ATSHRALDH1A1
SCHEMBL25752147 0.76
SCHEMBL31425732 0.74 HIF1A (0.39) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL1784079 0.74
SCHEMBL6060603 0.73 FFAR1 (0.31)
SCHEMBL28645216 0.72 HIF1A (0.47) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL2747826 0.72 HIF1A (0.47) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL22657401 0.72 HIF1A (0.47) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL6565722 0.72 HIF1A (0.47) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL231505 0.72 HIF1A (0.47) HIF1ATSHRFAAHTRPV1ALDH1A1

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
WO-2008084046-A1 PLASTICIZERS FOR POLYVINYL ACETALS AND POLYSULFIDES BASF SE (DE) 2008-07-17 WO disclosed