SCHEMBL9701956

SCHEMBL9701956

C=CCCCCP(=O)(Cl)OCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.42
LPAR2 Q9HBW0 1/20 0.42
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 5/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.34
AOX1 Q06278 1/20 0.33
PPARD Q03181 2/20 0.31
ABCC4 O15439 1/20 0.31
MAPT P10636 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
SCHEMBL9701979 0.98 LPAR3 (0.44) LPAR3LPAR2TP53TDP1TSHR
SCHEMBL13239564 0.98 LPAR3 (0.44) LPAR3LPAR2TP53TDP1TSHR
SCHEMBL9700826 0.94 TP53 (0.41) LPAR3LPAR2TP53TDP1TSHR
SCHEMBL9700834 0.86 TDP1 (0.44) LPAR3LPAR2TP53TDP1TSHR
SCHEMBL1219734 0.81 PPARD (0.47) LPAR3LPAR2TDP1TSHRALDH1A1
SCHEMBL2955740 0.79 LPAR3 (0.47) LPAR3LPAR2TDP1TSHRALDH1A1
SCHEMBL9701750 0.79 LPAR3 (0.47) LPAR3LPAR2TDP1TSHRALDH1A1
SCHEMBL8993904 0.79 LPAR3 (0.47) LPAR3LPAR2TDP1TSHRALDH1A1
SCHEMBL9701578 0.78 PPARD (0.52) LPAR3LPAR2TSHRALDH1A1LMNA
SCHEMBL11316419 0.76 LPAR3 (0.53) LPAR3LPAR2TSHRALDH1A1LMNA

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