SCHEMBL9696417

SCHEMBL9696417

C=C(CCC1CO1)C(=O)O.C=CC(=O)OCCC#N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.31
THRB P10828 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
SCHEMBL30540307 0.83 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL16754766 0.82 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4
Ethylene SCHEMBL4364784 0.81 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL20796900 0.78 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
Acrylic Acid Ethyl Ester SCHEMBL467440 0.78 ALDH1A1 (0.33) TSHRALDH1A1HPGD
SCHEMBL4268620 0.76 ALOX15 (0.30) HSD17B10
SCHEMBL33946 0.75
SCHEMBL3363683 0.75 ALDH1A1 (0.37) ALDH1A1HSD17B10
SCHEMBL20081 0.75 ALDH1A1 (0.37) ALDH1A1HSD17B10
SCHEMBL4537923 0.75 ALDH1A1 (0.37) ALDH1A1HSD17B10

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
EP-0485240-A1 Coated product, and methods for providng a coated substrate or for forming a printed substrate THE MEAD CORPORATION (US) 1992-05-13 EP disclosed