SCHEMBL4889370

SCHEMBL4889370

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
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
SCHEMBL4892174 0.78 ALDH1A1 (0.41) ALDH1A1LMNATSHR
SCHEMBL1710154 0.77 ALDH1A1 (0.39) ALDH1A1LMNA
SCHEMBL4887912 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1099616 0.76 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2HSD17B10MEN1
SCHEMBL1441658 0.76 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2HSD17B10MEN1
SCHEMBL4893466 0.76 ALDH1A1 (0.40) ALDH1A1LMNATSHR
SCHEMBL4892401 0.74 TSHR (0.35) TSHR
SCHEMBL23877975 0.74 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HSD17B10MEN1
SCHEMBL7734313 0.74 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HSD17B10MEN1
SCHEMBL4389600 0.74 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HSD17B10MEN1

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