SCHEMBL7518951

SCHEMBL7518951

CCS[C@@H]1NC(=O)[C@H]1CCCNC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
TPSAB1 Q15661 3/20 0.37
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 3/20 0.37
CTSL P07711 3/20 0.36
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
TGM2 P21980 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
FASN P49327 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL7518931 1.00 IDO1 (0.40) IDO1TDO2MAPTL3MBTL1HTT
SCHEMBL7518938 1.00 IDO1 (0.40) IDO1TDO2MAPTL3MBTL1HTT
SCHEMBL7315575 0.88 CTSL (0.46) IDO1TDO2MAPTL3MBTL1HTT
SCHEMBL7315580 0.88 CTSL (0.46) IDO1TDO2MAPTL3MBTL1HTT
SCHEMBL7384402 0.84 IDO1 (0.43) IDO1TDO2MAPTL3MBTL1HTT
SCHEMBL7412431 0.84 IDO1 (0.43) IDO1TDO2MAPTL3MBTL1HTT
SCHEMBL7384409 0.84 IDO1 (0.43) IDO1TDO2MAPTL3MBTL1HTT
SCHEMBL7413013 0.84 IDO1 (0.43) IDO1TDO2MAPTL3MBTL1HTT
SCHEMBL7412445 0.84 IDO1 (0.43) IDO1TDO2MAPTL3MBTL1HTT
SCHEMBL7412436 0.84 IDO1 (0.43) IDO1TDO2MAPTL3MBTL1HTT

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
US-5175283-A Enzyme inhibitors for antitrypsin or antithrombin as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1992-12-29 US claimed
US-5326863-A Antithrombin and antitrypsin activity BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-05 US disclosed