SCHEMBL9023889

SCHEMBL9023889

[CH2]Cc1ccc(/C=C/CC(=O)OCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.52
CYP4A11 Q02928 3/20 0.52
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CYP4Z1 Q86W10 4/20 0.40
ALOX5 P09917 1/20 0.40
PAM P19021 1/20 0.39
CYP3A4 P08684 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CYP4F11 Q9HBI6 1/20 0.37
CYP4F12 Q9HCS2 1/20 0.37
TTR P02766 1/20 0.37
DPP4 P27487 1/20 0.37
TSHR P16473 1/20 0.37
MAOB P27338 1/20 0.37
PPARG P37231 1/20 0.36

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
SCHEMBL9023894 1.00 CYP4F2 (0.52) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL28307711 0.84 CYP4F2 (0.52) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL28566875 0.83 CYP4F2 (0.54) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL8881122 0.83 CYP4F2 (0.76) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL8881119 0.83 CYP4F2 (0.76) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL28307708 0.81 MAPT (0.55) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL28307705 0.81 MAPT (0.55) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL28308489 0.81 MAOB (0.48) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL10891880 0.80 PAM (0.61) CYP4F2CYP4A11PAMCTDSP1MAOB
SCHEMBL10891882 0.80 PAM (0.61) CYP4F2CYP4A11PAMCTDSP1MAOB

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
EP-0699668-A1 1-(2-BENZIMIDAZOLYL)-1,5-DIAZACYCLOOCTANE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 1996-03-06 EP disclosed