SCHEMBL13306149

SCHEMBL13306149

BCc1ccc(C(=O)OC)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
KMT2A Q03164 4/20 0.51
MGLL Q99685 1/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 1/20 0.47
TSHR P16473 2/20 0.46
HSD17B2 P37059 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 3/20 0.44
ATM Q13315 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL8429886 0.86 MAPT (0.60) MAPTKMT2AMGLLCA1CA2
SCHEMBL2252810 0.85 MAPT (0.58) MAPTKMT2AMGLLCA1CA2
SCHEMBL9364255 0.83 MAPT (0.57) MAPTKMT2AMGLLCA1CA2
SCHEMBL1252482 0.83 MAPT (0.57) MAPTKMT2AMGLLCA1CA2
SCHEMBL8529739 0.83 MAPT (0.57) MAPTKMT2AMGLLCA1CA2
SCHEMBL184552 0.83 MAPT (0.57) MAPTKMT2AMGLLCA1CA2
SCHEMBL2985242 0.83 MAPT (0.57) MAPTKMT2AMGLLCA1CA2
SCHEMBL16839623 0.83 MAPT (0.57) MAPTKMT2AMGLLCA1CA2
Hydrochloric Acid SCHEMBL6391948 0.82 MAPT (0.55) MAPTKMT2AMGLLCA1CA2
SCHEMBL12448459 0.82 MAPT (0.55) MAPTKMT2AMGLLCA1CA2

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-1910362-B1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS INC (US) 2012-10-17 EP disclosed
EP-1740584-B9 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2010-06-09 EP disclosed