SCHEMBL14764358

SCHEMBL14764358

C=CC(=O)OC(OCCCCCCOC(OC(=O)C=C)C(C)O)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.38
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL18669159 0.98 TSHR (0.42) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27783779 0.94 TSHR (0.45) TSHRALDH1A1CYP3A4HPGD
SCHEMBL10949665 0.90 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2462828 0.86 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL8734579 0.84 TSHR (0.33) TSHRALDH1A1CYP3A4HPGD
SCHEMBL2853889 0.81 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL17213620 0.78 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1637419 0.77 TSHR (0.42) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9862506 0.76 TSHR (0.41) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27541066 0.76 TSHR (0.36) TSHR

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
WO-2013033742-A2 METHOD FOR INCREASING THE COUNTERFEIT PROTECTION FOR AN ARTICLE DURST PHOTOTECHNIK DIGITAL TECHNOLOGY GMBH (AT) 2013-03-14 WO disclosed