SCHEMBL4890337

SCHEMBL4890337

CCC(CO)CCCC(O)(CC)CC

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
CA2 P00918 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
SCHEMBL4889335 0.83 ALDH1A1 (0.41) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL2332643 0.81 ALDH1A1 (0.50) ALDH1A1LMNATSHR
SCHEMBL4894809 0.79 ALDH1A1 (0.48) ALDH1A1LMNATDP1
SCHEMBL4892117 0.78 ALDH1A1 (0.79) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL4890744 0.78 ALDH1A1 (0.52) ALDH1A1LMNA
Amylene Hydrate SCHEMBL15936347 0.77 ALDH1A1 (0.75) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL8601883 0.77 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL8073398 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8996356 0.76 ALDH1A1 (0.75) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL20894886 0.76 TSHR (0.48) CYP3A4TSHR

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