SCHEMBL1700384

SCHEMBL1700384

CC(C)(CCC(=O)OCC1CO1)C(=O)OCC1CO1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MGLL Q99685 3/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL28397505 0.85 ALDH1A1 (0.47) ALDH1A1MGLLLMNAPOLBTP53
SCHEMBL14977243 0.83 ALDH1A1 (0.46) ALDH1A1MGLLTP53CYP3A4
SCHEMBL7934190 0.82 ALDH1A1 (0.45) ALDH1A1MGLLLMNAPOLBTP53
SCHEMBL12026823 0.81 ALDH1A1 (0.44) ALDH1A1TP53CYP3A4
SCHEMBL16543538 0.81 ALDH1A1 (0.44) ALDH1A1MGLLTP53CYP3A4
SCHEMBL14566235 0.80 ALDH1A1 (0.41) ALDH1A1MGLLLMNAPOLBTP53
SCHEMBL9724210 0.80 ALDH1A1 (0.49) ALDH1A1MGLLTP53CYP3A4
SCHEMBL47407 0.80 ALDH1A1 (0.49) ALDH1A1MGLLTP53CYP3A4
SCHEMBL10317182 0.79 ALDH1A1 (0.42) ALDH1A1MGLLLMNAPOLBTP53
SCHEMBL9957587 0.79 CYP4F2 (0.45) ALDH1A1TP53CYP3A4

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
WO-2017143901-A1 ELECTRICALLY CONDUCTIVE COMPOSITION AND APPLICATIONS FOR SAID COMPOSITION HENKEL AG & CO. KGAA (DE) 2017-08-31 WO disclosed
EP-2576702-A1 USE OF SURFACE-MODIFIED EFFECT PIGMENTS IN A SOLVENT-FREE COATING AGENT, SOLVENT-FREE COATING AGENT AND COATED OBJECT Eckart GmbH (DE) 2013-04-10 EP disclosed
WO-2011147892-A1 USE OF SURFACE-MODIFIED EFFECT PIGMENTS IN A SOLVENT-FREE COATING AGENT, SOLVENT-FREE COATING AGENT AND COATED OBJECT ECKART GMBH (DE) 2011-12-01 WO disclosed