SCHEMBL14629610

SCHEMBL14629610

CCc1cccc(/C=C/C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.55
MEF2D Q14814 1/20 0.55
TTR P02766 1/20 0.54
APP P05067 1/20 0.54
PTPN1 P18031 1/20 0.51
FDPS P14324 1/20 0.50
NQO1 P15559 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TYR P14679 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
EPHX2 P34913 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
DHODH Q02127 1/20 0.49
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49

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
SCHEMBL3295979 0.88 TTR (0.54) HDAC4MEF2DTTRAPPPTPN1
SCHEMBL3295973 0.88 TTR (0.54) HDAC4MEF2DTTRAPPPTPN1
SCHEMBL10509071 0.86 TTR (0.53) TTRAPPPTPN1FDPSNQO1
SCHEMBL1164636 0.86 TTR (0.53) HDAC4MEF2DTTRAPPPTPN1
SCHEMBL31380271 0.86 TTR (0.53) TTRAPPPTPN1FDPSNQO1
SCHEMBL10509072 0.86 TTR (0.53) TTRAPPPTPN1FDPSNQO1
SCHEMBL3439465 0.86 TTR (0.53) HDAC4MEF2DTTRAPPPTPN1
SCHEMBL13754654 0.85 TTR (0.51) HDAC4MEF2DTTRAPPPTPN1
SCHEMBL2810114 0.85 TTR (0.51) TTRAPPPTPN1FDPSNQO1
Hydrochloric Acid SCHEMBL1164635 0.85 TTR (0.51) HDAC4MEF2DTTRAPPPTPN1

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
WO-2017078927-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-05-11 WO disclosed
US-7169936-B2 Indolinone derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-30 US disclosed