SCHEMBL9246773

SCHEMBL9246773

COC(=O)/C=C/C(=O)OC1CCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.52
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
EPHX1 P07099 2/20 0.47
NAAA Q02083 2/20 0.40
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
CYP2C19 P33261 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP19A1 P11511 2/20 0.35

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
SCHEMBL10712880 1.00 HCAR2 (0.52) HCAR2KEAP1NFE2L2EPHX1NAAA
SCHEMBL10712879 1.00 HCAR2 (0.52) HCAR2KEAP1NFE2L2EPHX1NAAA
SCHEMBL9241943 1.00 HCAR2 (0.52) HCAR2KEAP1NFE2L2EPHX1NAAA
SCHEMBL1088218 0.98 HCAR2 (0.54) HCAR2KEAP1NFE2L2EPHX1NAAA
SCHEMBL1088172 0.98 HCAR2 (0.54) HCAR2KEAP1NFE2L2EPHX1NAAA
SCHEMBL1088175 0.98 HCAR2 (0.54) HCAR2KEAP1NFE2L2EPHX1NAAA
Ethane SCHEMBL28092403 0.90 EPHX1 (0.47) EPHX1NAAAHTTSMN1; SMN2CYP2C19
SCHEMBL20497366 0.90 HCAR2 (0.59) HCAR2KEAP1NFE2L2EPHX1HTT
SCHEMBL9245002 0.90 HCAR2 (0.59) HCAR2KEAP1NFE2L2EPHX1HTT
SCHEMBL8101682 0.89 EPHX1 (0.48) EPHX1NAAAHTTSMN1; SMN2CYP2C19

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
EP-0534236-B1 Moulding compositions of polymethylmethacrylate with high heat resistance BASF AG (DE) 1995-12-06 EP disclosed
EP-0534236-A2 Moulding compositions of polymethylmethacrylate with high heat resistance BASF Aktiengesellschaft (DE) 1993-03-31 EP disclosed