SCHEMBL14099280

SCHEMBL14099280

CC(c1cc(C2(C)CCCCC2)c(O)c(C2(C)CCCCC2)c1)c1cc(C2(C)CCCCC2)c(O)c(C2(C)CCCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RARB P10826 3/20 0.35
RARG P13631 3/20 0.35
ACHE P22303 1/20 0.35
RARA P10276 2/20 0.34
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
USP2 O75604 1/20 0.31
OPRM1 P35372 2/20 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
SCHEMBL224293 0.79 GLA (0.66) GLATSHRALOX12NPSR1MEN1
SCHEMBL8399159 0.78 GLA (0.43) GLATSHRALOX12NPSR1MEN1
SCHEMBL6400015 0.76 GLA (0.55) GLATSHRALOX12NPSR1MEN1
SCHEMBL14098984 0.76 GLA (0.50) GLATSHRALOX12NPSR1MEN1
SCHEMBL8397549 0.75 TSHR (0.38) GLATSHRALOX12NPSR1MEN1
SCHEMBL8399246 0.75 GLA (0.47) GLATSHRALOX12NPSR1MEN1
SCHEMBL8397554 0.74 RARB (0.45) GLATSHRALOX12MEN1KMT2A
SCHEMBL8399071 0.74 GLA (0.40) GLATSHRALOX12NPSR1MEN1
SCHEMBL14273036 0.73 RARB (0.55) GLATSHRALOX12NPSR1MEN1
SCHEMBL14494164 0.73 GLA (0.42) 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-1491947-B1 Photosensitive emulsion and photothermographic material KONICA MINOLTA MED & GRAPHIC (JP) 2008-08-27 EP disclosed