SCHEMBL5963763

SCHEMBL5963763

CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 18/20 0.54
TDP1 Q9NUW8 1/20 0.48
BCL2 P10415 4/20 0.47
BCL2L1 Q07817 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL23491959 0.90 MCL1 (0.51) MCL1BCL2
SCHEMBL1448652 0.90 MCL1 (0.51) MCL1BCL2
SCHEMBL12742659 0.90 MCL1 (0.51) MCL1BCL2
SCHEMBL6974007 0.90 MCL1 (0.51) MCL1BCL2
SCHEMBL23491353 0.87 MCL1 (0.54) MCL1BCL2BCL2L1
SCHEMBL15888149 0.86 MCL1 (0.49) MCL1BCL2
SCHEMBL8999703 0.85 MCL1 (0.52) MCL1BCL2BCL2L1
SCHEMBL8999696 0.85 MCL1 (0.52) MCL1BCL2BCL2L1
SCHEMBL6847022 0.85 MCL1 (0.53) MCL1BCL2BCL2L1
SCHEMBL4313540 0.85 MCL1 (0.53) MCL1BCL2BCL2L1

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-7122521-B2 COMPRISING TRIPEPTIDE UNIT OF THE FORMULA (flp-Yaa-Gly)N, WHERE Yaa IS ANY AMINO ACID, FLP IS 4(R)-FLUORO-L-PROLINE, AND N IS AT LEAST 3; INCREASED STABILITY; STRONGER TRIPLE HELIX THAN NATIVE COLLAGEN; FOR USE SUCH AS IN ARTIFICIAL SKIN WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-10-17 US disclosed
US-20050004032-A1 Collagen mimics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-01-06 US disclosed