SCHEMBL7359305

SCHEMBL7359305

O=C(O)CCCNC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.69
KEAP1 Q14145 2/20 0.48
NFE2L2 Q16236 2/20 0.48
ATM Q13315 1/20 0.48
FOLH1 Q04609 5/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TGM2 P21980 1/20 0.46
CPB1 P15086 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
KMT2A Q03164 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.42
CAPN1 P07384 1/20 0.42
CAPN2 P17655 1/20 0.42

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
SCHEMBL14598314 0.96 HTT (0.64) HTTKEAP1NFE2L2ATMFOLH1
SCHEMBL7318682 0.96 HTT (0.64) HTTKEAP1NFE2L2ATMFOLH1
SCHEMBL14628582 0.96 HTT (0.64) HTTKEAP1NFE2L2ATMFOLH1
SCHEMBL7319378 0.95 HTT (0.62) HTTKEAP1NFE2L2FOLH1LMNA
SCHEMBL8029846 0.95 HTT (0.62) HTTKEAP1NFE2L2FOLH1LMNA
SCHEMBL7355388 0.92 HTT (0.57) HTTKEAP1NFE2L2FOLH1LMNA
SCHEMBL989685 0.91 TGM2 (0.55) HTTKEAP1NFE2L2FOLH1LMNA
SCHEMBL8039590 0.88 HTT (0.52) HTTKEAP1NFE2L2FOLH1LMNA
SCHEMBL13622431 0.86 HTT (0.50) HTTKEAP1NFE2L2LMNASMN1; SMN2
SCHEMBL28645751 0.86 HTT (0.50) HTTKEAP1NFE2L2LMNASMN1; SMN2

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-1999048911-A1 MONOBACTAM ENZYME INHIBITORS NAEJA PHARMACEUTICAL INC. (GB) 1999-09-30 WO disclosed
EP-0646573-A1 Preparation of protected and unprotected guanidino-substituted carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-05 EP disclosed