SCHEMBL8401630

SCHEMBL8401630

CC(=O)Oc1cc(C(C)(C)C)c(O)c(C2(C)CCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
RARB P10826 4/20 0.36
RARG P13631 4/20 0.36
ATM Q13315 2/20 0.35
CYP3A4 P08684 1/20 0.35
RARA P10276 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
PTGDR Q13258 1/20 0.33

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
SCHEMBL8401324 0.86 GLA (0.36) GLATSHRALOX12CA1CA2
SCHEMBL8401561 0.85 RARB (0.37) CA1CA2RARBRARGATM
SCHEMBL8397200 0.82 TSHR (0.44) GLATSHRALOX12RARBRARG
SCHEMBL8400746 0.82 VCAM1 (0.50) GLATSHRALOX12CA1CA2
SCHEMBL8400747 0.81 GLA (0.46) GLATSHRALOX12RARBRARG
SCHEMBL77430 0.78 CA2 (0.59) CA1CA2CYP3A4MEN1KMT2A
SCHEMBL7796578 0.77 RARG (0.47) GLATSHRALOX12RARBRARG
SCHEMBL8401653 0.76 RARB (0.51) GLACA2RARBRARGCYP3A4
SCHEMBL11813522 0.76 GLA (0.55) GLATSHRALOX12CA1CA2
SCHEMBL11205747 0.75 CA2 (0.45) CA1CA2ATMMEN1KMT2A

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 2 patents. 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
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed