SCHEMBL11087249

SCHEMBL11087249

C=CCOC(=O)C=C.O=P(O)(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.43
ALDH1A1 P00352 5/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.36
APP P05067 1/20 0.36
THRB P10828 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LIG1 P18858 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
Phosphoric Acid SCHEMBL9015286 0.91 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5167665 0.87 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL31267242 0.87 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19273 0.87
SCHEMBL11087250 0.86 MAPT (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
Vinyl Chloride SCHEMBL875728 0.85 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
Chloromethane SCHEMBL28424741 0.85 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
Charcoal, Activated SCHEMBL3744730 0.84
Ethylene SCHEMBL461105 0.84 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
Ethylene SCHEMBL5184263 0.84 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4478975-A FLUOROPOLYMER AND POLYURETHANES OR POLYETHERURETHANES ATOCHEM (FR) 1984-10-23 US disclosed
US-4366299-A Copolymers containing fluorine and their use for the water-repellent and oil-repellent treatment of various substrates P C U K PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1982-12-28 US disclosed