SCHEMBL11026097

SCHEMBL11026097

Cc1ccc(OP(O)O)c(C2(C)CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.42
PTGDR Q13258 1/20 0.42
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
RARB P10826 4/20 0.39
RARG P13631 4/20 0.39
RARA P10276 3/20 0.39
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LPAR1 Q92633 2/20 0.33
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
ACHE P22303 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 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
SCHEMBL10348219 0.91 PTGDR2 (0.42) PTGDR2PTGDRGLATSHRALOX12
SCHEMBL7949638 0.88 PTGDR (0.40) PTGDR2PTGDRGLATSHRALOX12
SCHEMBL27262057 0.78 SIGMAR1 (0.35) PTGDR2PTGDRRARBRARGRARA
SCHEMBL224914 0.75 ALOX12 (0.50) PTGDR2PTGDRGLATSHRALOX12
SCHEMBL27469641 0.72 PTGDR (0.40) PTGDR2PTGDRGLATSHRALOX12
SCHEMBL11809115 0.72 PTGDR (0.41) PTGDR2PTGDRGLATSHRALOX12
SCHEMBL9355910 0.71 GLA (0.36) PTGDR2PTGDRGLATSHRALOX12
SCHEMBL2498796 0.69 GLA (0.48) PTGDR2PTGDRGLATSHRALOX12
SCHEMBL8385833 0.69 TP53 (0.43) MEN1KMT2ATP53GAAACHE
SCHEMBL14571978 0.69 GLA (0.55) PTGDR2PTGDRGLATSHRALOX12

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-0040286-B1 POLYVINYL HALIDE RESIN COMPOSITIONS CONTAINING 1,3 DICARBONYL COMPOUNDS PHOENIX CHEMICAL CORPORATION (US) 1985-01-16 EP disclosed