SCHEMBL8400772

SCHEMBL8400772

CCc1cc(C(O)CC)cc(C2(C)CCCCC2)c1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
RARB P10826 2/20 0.32
RARG P13631 2/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
RARA P10276 1/20 0.31
LMNA P02545 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
SCHEMBL8399246 0.87 GLA (0.47) GLATSHRALOX12NPSR1MEN1
SCHEMBL8400761 0.84 GLA (0.44) GLATSHRALOX12NPSR1MEN1
SCHEMBL8400785 0.83 RARA (0.33) GLATSHRALOX12TP53RARB
SCHEMBL8400760 0.81 TSHR (0.44) GLATSHRALOX12NPSR1MEN1
SCHEMBL8519627 0.81 TSHR (0.39) GLATSHRALOX12NPSR1MEN1
SCHEMBL8397559 0.78 RARB (0.42) GLATSHRALOX12MEN1KMT2A
SCHEMBL8595049 0.77 GLA (0.43) GLATSHRALOX12NPSR1MEN1
SCHEMBL7786437 0.74 RARB (0.48) GLATSHRALOX12NPSR1MEN1
SCHEMBL3808966 0.73 GLA (0.47) GLATSHRALOX12NPSR1MEN1
SCHEMBL8401420 0.73 GLA (0.33) 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
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed