SCHEMBL13315664

SCHEMBL13315664

COC(=O)CC=Cc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.51
▸ CYP4A11 Q02928 2/20 0.51
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA7 P43166 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ CA3 P07451 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA5B Q9Y2D0 1/20 0.37
▸ PAM P19021 1/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ LCK P06239 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ PTGS2 P35354 1/20 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
SCHEMBL28302207 0.78 CYP4F2 (0.53) CYP4F2CYP4A11TTRCYP1A2KDM4E
SCHEMBL2877454 0.77 CYP4F2 (0.64) CYP4F2CYP4A11PAMAKT1MAOB
SCHEMBL2877458 0.77 CYP4F2 (0.64) CYP4F2CYP4A11PAMAKT1MAOB
Nitrogen SCHEMBL29159384 0.75 CYP4F2 (0.60) CYP4F2CYP4A11PAMAKT1MAOB
Hydrazine SCHEMBL30778291 0.75 CYP4F2 (0.60) CYP4F2CYP4A11PAMAKT1MAOB
SCHEMBL13908714 0.75 CYP4F2 (0.65) CYP4F2CYP4A11PAMPTGS2CYP1A2
SCHEMBL13297245 0.74 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL7368516 0.73 LCK (0.52) CA12CA1CA2CA7CA9
SCHEMBL16749636 0.73 LCK (0.52) CA12CA1CA2CA7CA9
SCHEMBL23011973 0.73 CYP4F2 (0.55) CYP4F2CYP4A11PTGS2BACE1

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
US-7736708-B2 Micropattern retardation element NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2010-06-15 — — US disclosed
US-20070134442-A1 Micropattern retardation element NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-06-14 — — US disclosed
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