SCHEMBL7314617

SCHEMBL7314617

COC(=O)CCCCCNC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
TGM2 P21980 1/20 0.47
LMNA P02545 3/20 0.47
KEAP1 Q14145 2/20 0.46
NFE2L2 Q16236 2/20 0.46
SIRT2 Q8IXJ6 3/20 0.46
SIRT1 Q96EB6 2/20 0.46
SIRT3 Q9NTG7 1/20 0.46
EPHX2 P34913 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TPSAB1 Q15661 2/20 0.45
TPSD1 Q9BZJ3 2/20 0.45
TPSG1 Q9NRR2 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7381045 0.99 HTT (0.50) HTTTGM2LMNAKEAP1NFE2L2
SCHEMBL989685 0.91 TGM2 (0.55) HTTTGM2LMNAKEAP1NFE2L2
SCHEMBL8039590 0.90 HTT (0.52) HTTTGM2LMNAKEAP1NFE2L2
SCHEMBL7319378 0.90 HTT (0.62) HTTTGM2LMNAKEAP1NFE2L2
SCHEMBL8029846 0.90 HTT (0.62) HTTTGM2LMNAKEAP1NFE2L2
SCHEMBL7318682 0.89 HTT (0.64) HTTTGM2LMNAKEAP1NFE2L2
SCHEMBL14598314 0.89 HTT (0.64) HTTTGM2LMNAKEAP1NFE2L2
SCHEMBL14628582 0.89 HTT (0.64) HTTTGM2LMNAKEAP1NFE2L2
SCHEMBL7359305 0.85 HTT (0.69) HTTTGM2LMNAKEAP1NFE2L2
SCHEMBL131437 0.84 HTT (0.68) HTTTGM2LMNAKEAP1NFE2L2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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