SCHEMBL4890837

SCHEMBL4890837

CCC(CO)CCC(CC)CCCO

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
LMNA P02545 4/20 0.46
CA2 P00918 2/20 0.38
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 3/20 0.34
CYP3A4 P08684 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.32
TRPA1 O75762 1/20 0.31
ATM Q13315 1/20 0.31
PTPN1 P18031 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
SCHEMBL964900 0.95
SCHEMBL9559815 0.90 ALDH1A1 (0.50) ALDH1A1LMNACA2TDP1TSHR
SCHEMBL9173076 0.89 ALDH1A1 (0.55) ALDH1A1LMNACA2TDP1TSHR
SCHEMBL10358965 0.88 ALDH1A1 (0.62) ALDH1A1LMNACA2TDP1TSHR
SCHEMBL28176 0.87 ALDH1A1 (0.68) ALDH1A1LMNACA2TDP1TSHR
SCHEMBL4895562 0.87 ALDH1A1 (0.68) ALDH1A1LMNACA2TDP1TSHR
SCHEMBL17526574 0.87 ALDH1A1 (0.52) ALDH1A1LMNACA2TDP1TSHR
SCHEMBL17526573 0.87 ALDH1A1 (0.52) ALDH1A1LMNACA2TDP1TSHR
SCHEMBL8368012 0.87 ALDH1A1 (0.52) ALDH1A1LMNACA2TDP1TSHR
SCHEMBL11387708 0.85 ALDH1A1 (0.65) ALDH1A1LMNACA2TDP1TSHR

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
US-20080293880-A1 Liquid, Thermally Curable Mixtures, Their Preparation and Use BASF COATINGS AG (DE) 2008-11-27 US claimed
EP-1467863-B1 USE OF POLYHYDROXY FUNCTIONALIZED ALKANES AS ADHESION PROMOTERS IN COMPOSITES CONSISTING OF A COATING, GLUED LAYER AND COMPOSITE GLASS PANEL, IN ADDITION TO COMPOSITES OF THIS TYPE, A METHOD FOR THEIR PRODUCTION AND THE USE THEREOF BASF COATINGS AG (DE) 2006-01-11 EP claimed
US-20070054999-A1 Coating substances that are free of covering pigments, contain solvents, and can be hardened thermally or by actinic radiation, method for the production thereof, and use thereof same BASF COATINGS AG (DE) 2007-03-08 US disclosed