SCHEMBL31176239

SCHEMBL31176239

Cc1cc(CCc2cc(C)cc(C3(C)CCCCC3)c2O)c(O)c(C2(C)CCCCC2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.73
TSHR P16473 1/20 0.73
ALOX12 P18054 1/20 0.73
NPSR1 Q6W5P4 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
ATM Q13315 1/20 0.63
HSD17B10 Q99714 1/20 0.63
TP53 P04637 1/20 0.56
GAA P10253 1/20 0.56
ACHE P22303 1/20 0.36
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
RARA P10276 1/20 0.32
AMY1A P0DUB6 1/20 0.32
HSPA5 P11021 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL39101 0.90 GLA (0.73) GLATSHRALOX12NPSR1MEN1
SCHEMBL29464977 0.90 GLA (0.73) GLATSHRALOX12NPSR1MEN1
SCHEMBL27036911 0.90 GLA (0.64) GLATSHRALOX12NPSR1MEN1
SCHEMBL14557190 0.88 GLA (0.70) GLATSHRALOX12NPSR1MEN1
SCHEMBL224293 0.86 GLA (0.66) GLATSHRALOX12NPSR1MEN1
SCHEMBL14432648 0.84 GLA (0.66) GLATSHRALOX12NPSR1MEN1
SCHEMBL39469 0.81 GLA (0.60) GLATSHRALOX12NPSR1MEN1
SCHEMBL29373474 0.81 GLA (0.60) GLATSHRALOX12NPSR1MEN1
SCHEMBL14557191 0.81 GLA (0.60) GLATSHRALOX12NPSR1MEN1
SCHEMBL14490970 0.80 GLA (0.56) 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
CN-118613461-A Hybrid olefin composition comprising resin composition polymerizable by addition or polycondensation reaction 马特里亚公司 2024-09-06 CN disclosed