SCHEMBL4892417

SCHEMBL4892417

CCC(C)CC(O)(CC)CCCCO

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 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
SCHEMBL4891396 0.82 SMN1; SMN2 (0.35) CYP4F2CYP4A11SMN1; SMN2LMNAALDH1A1
SCHEMBL4889355 0.81 SMN1; SMN2 (0.31) CYP4F2CYP4A11SMN1; SMN2LMNAALDH1A1
SCHEMBL1092012 0.79 SMN1; SMN2 (0.43) CYP4F2CYP4A11SMN1; SMN2LMNAALDH1A1
SCHEMBL11854828 0.79 TSHR (0.33) TSHR
SCHEMBL5675112 0.77 LMNA (0.46) CYP4F2CYP4A11SMN1; SMN2LMNAALDH1A1
SCHEMBL28214407 0.77 LMNA (0.46) CYP4F2CYP4A11SMN1; SMN2LMNAALDH1A1
SCHEMBL20894902 0.77 LMNA (0.46) CYP4F2CYP4A11SMN1; SMN2LMNAALDH1A1
1,6-Hexanediol SCHEMBL16666591 0.77 LMNA (0.46) CYP4F2CYP4A11SMN1; SMN2LMNAALDH1A1
SCHEMBL16913580 0.77 LMNA (0.31) CYP4F2CYP4A11LMNAALDH1A1HSD17B10
SCHEMBL4811939 0.76 ACE2 (0.30)

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-20080293880-A1 Liquid, Thermally Curable Mixtures, Their Preparation and Use BASF COATINGS AG (DE) 2008-11-27 US claimed