SCHEMBL9844578

SCHEMBL9844578

Cc1cc(Cc2cc(C)cc(C3(C)CCCCC3)c2OP(O)F)c(OP(O)F)c(C2(C)CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL14300600 0.76 GLA (0.60) GLATSHRALOX12NPSR1MEN1
SCHEMBL39101 0.74 GLA (0.73) GLATSHRALOX12NPSR1MEN1
SCHEMBL29464977 0.74 GLA (0.73) GLATSHRALOX12NPSR1MEN1
SCHEMBL7949638 0.74 PTGDR (0.40) GLATSHRALOX12NPSR1MEN1
SCHEMBL22215909 0.74 GLA (0.44) GLATSHRALOX12NPSR1MEN1
SCHEMBL9356236 0.74 AMY1A (0.33) HSD17B10
SCHEMBL17546526 0.73 GLA (0.44) GLATSHRALOX12NPSR1MEN1
SCHEMBL14557190 0.72 GLA (0.70) GLATSHRALOX12NPSR1MEN1
SCHEMBL9355548 0.72 PTGDR2 (0.38) ALOX12TP53PTGDR2
SCHEMBL14432648 0.70 GLA (0.66) GLATSHRALOX12NPSR1MEN1

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-0416321-A1 Crystalline polyolefin composition Chisso Corporation (JP) 1991-03-13 EP disclosed