SCHEMBL9700834

SCHEMBL9700834

C=CCCP(=O)(Cl)OCC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 4/20 0.37
AOX1 Q06278 1/20 0.35
PPARD Q03181 2/20 0.34
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL9700826 0.88 TP53 (0.41) TDP1TP53TSHRAOX1PPARD
SCHEMBL9701956 0.86 LPAR3 (0.42) TDP1TP53TSHRAOX1PPARD
SCHEMBL13239564 0.85 LPAR3 (0.44) TDP1TP53TSHRAOX1LPAR2
SCHEMBL9701979 0.85 LPAR3 (0.44) TDP1TP53TSHRAOX1LPAR2
SCHEMBL212199 0.78 PPARD (0.52) TDP1TP53TSHRAOX1PPARD
SCHEMBL11796292 0.73
SCHEMBL9698688 0.71 TP53 (0.50) TDP1TP53TSHRPPARDLPAR2
SCHEMBL13181242 0.71
SCHEMBL2957697 0.71 PPARD (0.48) TDP1TP53TSHRAOX1PPARD
SCHEMBL5852148 0.70 LPAR3 (0.53) TDP1TP53TSHRLPAR2LPAR3

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-0478292-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-01 EP disclosed