SCHEMBL8401324

SCHEMBL8401324

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
VCAM1 P19320 10/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ATM Q13315 2/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 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
SCHEMBL8400746 0.86 VCAM1 (0.50) GLATSHRALOX12VCAM1CA1
SCHEMBL8401630 0.86 GLA (0.39) GLATSHRALOX12VCAM1CA1
SCHEMBL8400788 0.86 RARB (0.35) VCAM1CA1CA2RARBRARG
SCHEMBL8399068 0.84 TSHR (0.41) GLATSHRALOX12RARBRARG
SCHEMBL8400759 0.84 GLA (0.44) GLATSHRALOX12RARBRARG
SCHEMBL100583 0.80 CA2 (0.53) VCAM1CA1CA2KMT2ALMNA
Methane SCHEMBL4563808 0.78 CA2 (0.52) VCAM1CA1CA2KMT2ALMNA
SCHEMBL30999666 0.78 CA2 (0.52) VCAM1CA1CA2KMT2ALMNA
SCHEMBL28207236 0.78 CA2 (0.52) VCAM1CA1CA2KMT2ALMNA
SCHEMBL8401696 0.78 RARB (0.48) GLARARBRARGPTGDRPTGDR2

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