SCHEMBL4201367

SCHEMBL4201367

CCOC1C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
NR1H2 P55055 1/20 0.38
UCHL1 P09936 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 1/20 0.35
AGTR2 P50052 5/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ABCB1 P08183 1/20 0.34
ATM Q13315 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
SCHEMBL6847789 1.00 HSD17B10 (0.39) HSD17B10NR1H2UCHL1SMN1; SMN2MCL1
SCHEMBL6121564 1.00 HSD17B10 (0.39) HSD17B10NR1H2UCHL1SMN1; SMN2MCL1
SCHEMBL1162888 1.00 HSD17B10 (0.39) HSD17B10NR1H2UCHL1SMN1; SMN2MCL1
SCHEMBL6120566 1.00 HSD17B10 (0.39) HSD17B10NR1H2UCHL1SMN1; SMN2MCL1
SCHEMBL85533 1.00 HSD17B10 (0.39) HSD17B10NR1H2UCHL1SMN1; SMN2MCL1
SCHEMBL6848260 0.89 MCL1 (0.38) HSD17B10NR1H2UCHL1SMN1; SMN2MCL1
SCHEMBL6848108 0.89 MCL1 (0.38) HSD17B10NR1H2UCHL1SMN1; SMN2MCL1
SCHEMBL20446593 0.89 MCL1 (0.38) HSD17B10NR1H2UCHL1SMN1; SMN2MCL1
SCHEMBL6848111 0.89 MCL1 (0.38) HSD17B10NR1H2UCHL1SMN1; SMN2MCL1
SCHEMBL6848258 0.89 MCL1 (0.38) HSD17B10NR1H2UCHL1SMN1; SMN2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116685576-A Cysteine protease inhibitors and methods of use thereof 美商帕迪斯生物科学公司 2023-09-01 CN disclosed
EP-1720844-B1 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2009-04-29 EP disclosed
EP-1791597-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF Merck Patent GmbH (DE) 2007-06-06 EP disclosed
EP-1720844-A2 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GmbH (DE) 2006-11-15 EP disclosed
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 WO disclosed
WO-2004087646-A2 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2004-10-14 WO disclosed
US-6770741-B1 USEFUL IN TREATING CONDITIONS AND DISEASES OF A MAMMAL AND HUMAN IN WHICH AN EXCESS OF BRADYKININ OR RELATED KININS ARE PRODUCED OR INJECTED SUCH AS BY INSECT BITES SCIOS INC. 2004-08-03 US disclosed
EP-0618810-B1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC (US) 2001-07-04 EP disclosed
US-5385889-A Substitution of L-proline at the 7-position of the peptide hormone with a D-configuration hydroxyproline ether or thioether converts agonist into antagonist SCIOS NOVA INC. (US) 1995-01-31 US disclosed
EP-0618810-A4 BRADYKININ ANTAGONIST PEPTIDES. SCIOS NOVA INC (US) 1994-12-07 EP disclosed
EP-0618810-A1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed