SCHEMBL7318682

SCHEMBL7318682

O=C(O)CCCCNC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
FOLH1 Q04609 5/20 0.49
KEAP1 Q14145 2/20 0.49
NFE2L2 Q16236 2/20 0.49
TGM2 P21980 1/20 0.48
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIRT5 Q9NXA8 1/20 0.45
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
PTGER4 P35408 3/20 0.43
CPB1 P15086 1/20 0.43

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
SCHEMBL14628582 1.00 HTT (0.64) HTTFOLH1KEAP1NFE2L2TGM2
SCHEMBL14598314 1.00 HTT (0.64) HTTFOLH1KEAP1NFE2L2TGM2
SCHEMBL7319378 0.99 HTT (0.62) HTTFOLH1KEAP1NFE2L2TGM2
SCHEMBL8029846 0.99 HTT (0.62) HTTFOLH1KEAP1NFE2L2TGM2
SCHEMBL7359305 0.96 HTT (0.69) HTTFOLH1KEAP1NFE2L2TGM2
SCHEMBL989685 0.92 TGM2 (0.55) HTTFOLH1KEAP1NFE2L2TGM2
SCHEMBL8039590 0.92 HTT (0.52) HTTFOLH1KEAP1NFE2L2TGM2
SCHEMBL7355388 0.91 HTT (0.57) HTTFOLH1KEAP1NFE2L2TGM2
SCHEMBL7381045 0.90 HTT (0.50) HTTFOLH1KEAP1NFE2L2TGM2
SCHEMBL7314617 0.89 HTT (0.49) HTTKEAP1NFE2L2TGM2LMNA

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 7 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
US-5326863-A Antithrombin and antitrypsin activity BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-05 US disclosed
US-5250677-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1993-10-05 US disclosed
US-5175283-A Enzyme inhibitors for antitrypsin or antithrombin as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1992-12-29 US disclosed
US-5110812-A Treatment of pancreatitis; anticoagulants BRISTOL-MYERS SQUIBB CO. (US) 1992-05-05 US disclosed
US-5037819-A Anticoagulant; treating pancreatitis BRISTOL-MYERS SQUIBB COMPANY (US) 1991-08-06 US disclosed