SCHEMBL5516634

SCHEMBL5516634

CC(=O)NC(C#N)c1ccc(C=CC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
MAPK1 P28482 4/20 0.54
HCAR2 Q8TDS4 2/20 0.44
CA12 O43570 2/20 0.44
AKR1B10 O60218 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA3 P07451 2/20 0.44
AKR1B1 P15121 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
DPP4 P27487 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
ESR1 P03372 1/20 0.44
PKM P14618 1/20 0.44
TYR P14679 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
SCHEMBL14065364 0.78 ALDH1A1 (0.53) KDM4ECTSSCTSKAKR1C3ALDH1A1
SCHEMBL8314608 0.72 ALDH1A1 (0.55) KDM4EMAPK1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL11835203 0.72 HCAR2 (0.77) KDM4EMAPK1HCAR2CA12AKR1B10
Hydrochloric Acid SCHEMBL8378608 0.72 HCAR2 (0.77) KDM4EMAPK1HCAR2CA12AKR1B10
SCHEMBL819055 0.71 KDM4E (1.00) KDM4EMAPK1HCAR2CA12AKR1B10
SCHEMBL1711780 0.71 KDM4E (1.00) KDM4EMAPK1HCAR2CA12AKR1B10
SCHEMBL68395 0.70 HCAR2 (0.81) KDM4EMAPK1HCAR2CA12AKR1B10
SCHEMBL713717 0.70 HCAR2 (0.81) KDM4EMAPK1HCAR2CA12AKR1B10
SCHEMBL14081549 0.70 HCAR2 (0.81) KDM4EMAPK1HCAR2CA12AKR1B10
SCHEMBL11683046 0.70 KDM4E (0.76) KDM4EMAPK1HCAR2CA12AKR1B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262252-B2 Nonlinear optical materials comprising fluorine-containing polymer DAIKIN INDUSTRIES, LTD. (JP) 2007-08-28 US disclosed
US-20050004253-A1 Nonlinear optical materials comprising fluorine-containing polymer DAIKIN INDUSTRIES, LTD 2005-01-06 US disclosed
EP-1406116-A1 NONLINEAR OPTICAL MATERIAL CONTAINING FLUOROPOLYMER Daikin Industries, Ltd. (JP) 2004-04-07 EP disclosed