SCHEMBL8592003

SCHEMBL8592003

[CH2]CC(C#N)c1ccc(CC(C)C)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.40
TTR P02766 1/20 0.40
JUN P05412 1/20 0.40
NR3C1 P04150 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ALOX15 P16050 3/20 0.38
ALOX12 P18054 3/20 0.38
LDHA P00338 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MMP1 P03956 1/20 0.35
CYP3A4 P08684 1/20 0.35
HIF1A Q16665 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 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
SCHEMBL13548297 0.77 FOS (0.50) FOSTTRJUNNR3C1HSD17B1
SCHEMBL806723 0.71 CA2 (0.63) FOSTTRJUNNR3C1HSD17B1
SCHEMBL8595058 0.71 FOS (0.44) FOSTTRJUNNR3C1HSD17B1
SCHEMBL11153867 0.70 ALDH1A1 (0.53) FOSTTRJUNNR3C1HSD17B1
SCHEMBL18269146 0.69 GABRA1 (0.52) FOSTTRJUNNR3C1HSD17B1
SCHEMBL6126233 0.69 FOS (0.51) FOSTTRJUNNR3C1HSD17B1
SCHEMBL10339014 0.68 LDHA (0.54) FOSTTRJUNNR3C1HSD17B1
SCHEMBL58055 0.68 CALM1 (0.58) FOSTTRJUNNR3C1HSD17B1
SCHEMBL8114065 0.68 FOS (0.44) FOSTTRJUNNR3C1HSD17B1
SCHEMBL12120763 0.67 ALOX15 (0.50) FOSTTRJUNNR3C1HSD17B1

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
WO-1998057910-A2 CYCLOOXYGENASE-I SELECTIVE INHIBITORS AND THE USE THEREOF AS ANALGESIC, ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS LABORATORIOS MENARINI S.A. (ES) 1998-12-23 WO disclosed