SCHEMBL9100705

SCHEMBL9100705

C/C=C/C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 17/20 0.77
ATM Q13315 3/20 0.77
ALDH1A1 P00352 15/20 0.61
HPGD P15428 5/20 0.57
HSD17B10 Q99714 5/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 5/20 0.56
MAPT P10636 4/20 0.56
GLA P06280 3/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.51
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
TSHR P16473 1/20 0.50
DNMT1 P26358 1/20 0.50

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
SCHEMBL7897290 1.00 KDM4E (0.77) KDM4EATMALDH1A1HPGDHSD17B10
SCHEMBL21392831 0.84 KDM4E (0.70) KDM4EATMALDH1A1HPGDHSD17B10
SCHEMBL24594132 0.80 SMN1; SMN2 (0.75) KDM4EATMALDH1A1HPGDHSD17B10
SCHEMBL7581412 0.80 SMN1; SMN2 (0.54) KDM4EATMALDH1A1HPGDKMT2A
SCHEMBL30487008 0.80 KDM4E (0.69) KDM4EATMALDH1A1HPGDHSD17B10
SCHEMBL14413343 0.80 KDM4E (0.69) KDM4EATMALDH1A1HPGDHSD17B10
SCHEMBL13088436 0.80 KDM4E (0.69) KDM4EATMALDH1A1HPGDHSD17B10
SCHEMBL558695 0.78 KDM4E (0.68) KDM4EATMALDH1A1HPGDHSD17B10
SCHEMBL4253087 0.77 KDM4E (0.70) KDM4EATMALDH1A1HPGDHSD17B10
SCHEMBL265369 0.76 MEN1 (0.59) KDM4EATMALDH1A1KMT2AGAA

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
US-5494949-A SILANIZING INORGANIC OXIDES FOR COVALENT BONDING TO POLYESTER; FILLERS, REDUCTION OF VOIDS IN FILMS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-02-27 US disclosed