SCHEMBL4892174

SCHEMBL4892174

CCC(CCCO)CC(O)(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 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
SCHEMBL26106078 0.81 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL26134882 0.79 ALDH1A1 (0.36) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL4891792 0.79 ALDH1A1 (0.54) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL4891396 0.78 SMN1; SMN2 (0.35) ALDH1A1LMNATSHR
SCHEMBL1038859 0.78
SCHEMBL19445608 0.78 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL9173076 0.78 ALDH1A1 (0.55) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL4889370 0.78 ALDH1A1 (0.38) ALDH1A1LMNATSHR
SCHEMBL4889446 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL17526573 0.76 ALDH1A1 (0.52) ALDH1A1TDP1LMNACYP3A4TSHR

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