SCHEMBL13614102

SCHEMBL13614102

CCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 2/20 0.57
POLB P06746 1/20 0.57
ALDH1A1 P00352 7/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.52
CASP3 P42574 8/20 0.50
PTPN5 P54829 1/20 0.49
CASP1 P29466 1/20 0.48
CASP2 P42575 1/20 0.48
CASP4 P49662 1/20 0.48
CASP5 P51878 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
ALOX15 P16050 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL2538476 0.83 LMNA (0.54) KMT2AKDM4EPOLBALDH1A1HSD17B10
SCHEMBL12225750 0.83 ALDH1A1 (0.58) MEN1KMT2AALDH1A1HSD17B10CASP6
SCHEMBL3922786 0.83 LMNA (0.62) MEN1KMT2AALDH1A1GAATSHR
SCHEMBL10979724 0.83 ALDH1A1 (0.49) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL2825786 0.82 ALDH1A1 (0.62) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL23752224 0.82 MEN1 (0.55) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL3760477 0.81 ALDH1A1 (0.53) MEN1KMT2AALDH1A1HSD17B10LMNA
SCHEMBL11460936 0.81 MAPK1 (0.69) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL15880673 0.80 ALDH1A1 (0.64) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL2836625 0.79 ALDH1A1 (0.62) MEN1KMT2AKDM4EPOLBALDH1A1

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-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed