SCHEMBL9840640

SCHEMBL9840640

COc1ccc(COC(=O)N[C@@H](CC(N)=O)C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR2A P28223 1/20 0.49
ATM Q13315 1/20 0.45
TGM2 P21980 1/20 0.45
CTSL P07711 3/20 0.45
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 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
SCHEMBL6446029 0.90 CTSL (0.49) TGM2CTSLRAB9A
SCHEMBL11351133 0.90 CTSL (0.49) TGM2CTSLRAB9A
SCHEMBL14050011 0.82 HDAC1 (0.55) TGM2CTSLRAB9A
SCHEMBL7417267 0.81 PPARG (0.52) GAAALDH1A1HTR2AMAPTRAB9A
SCHEMBL31151026 0.81 CASP1 (0.52) CTSL
SCHEMBL11813273 0.80 ATM (0.60) ALDH1A1ATMCTSL
SCHEMBL10898520 0.80 CTSL (0.49) TGM2CTSL
SCHEMBL11709602 0.80 CTSL (0.49) HTR2ATGM2CTSL
SCHEMBL11867075 0.80 CTSL (0.49) TGM2CTSL
SCHEMBL11867081 0.80 CTSL (0.49) TGM2CTSL

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-4990614-A N-heterocyclic amides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-02-05 US disclosed
US-4918107-A HYDROXYPHENYLACETYL-L-ASPARAGINYL COMPOUNDS TSUMURA & CO. (JP) 1990-04-17 US disclosed
EP-0311517-A2 Amide compound having glutamate receptor inhibiting activity Takeda Chemical Industries, Ltd. (JP) 1989-04-12 EP disclosed