SCHEMBL8400746

SCHEMBL8400746

CC(C)(C)c1cc(OC(=O)CCCO)cc(C2(C)CCCCC2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 10/20 0.50
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
ATM Q13315 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL8397557 0.87 VCAM1 (0.46) VCAM1RARBRARGPTGDRPTGDR2
SCHEMBL8401324 0.86 GLA (0.36) VCAM1GLATSHRALOX12CA1
SCHEMBL8430378 0.84 VCAM1 (0.47) VCAM1RARBRARGPTGDRPTGDR2
SCHEMBL8401630 0.82 GLA (0.39) VCAM1GLATSHRALOX12CA1
SCHEMBL8400865 0.80 RARB (0.44) RARBRARGPTGDRPTGDR2OPRM1
SCHEMBL8397568 0.76 RARB (0.34) VCAM1GLATSHRALOX12RARB
SCHEMBL8400744 0.76 RARA (0.34) VCAM1RARBRARGPTGDRPTGDR2
SCHEMBL8401556 0.75 RARA (0.49) RARBRARGPTGDRPTGDR2OPRM1
SCHEMBL2908677 0.75 ALDH1A1 (0.40) GLATSHRALOX12ATMMEN1
SCHEMBL38445 0.75 VCAM1 (0.60) VCAM1CA1CA2ALOX5PTGS1

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