SCHEMBL3140616

SCHEMBL3140616

CC(NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(=O)NC(CC(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 11/20 0.62
CASP7 P55210 7/20 0.57
CASP1 P29466 5/20 0.57
CASP9 P55211 4/20 0.57
MME P08473 1/20 0.56
ECE1 P42892 1/20 0.56
CASP4 P49662 3/20 0.54
CASP10 Q92851 3/20 0.53
CASP8 Q14790 2/20 0.53
ELANE P08246 1/20 0.52
REN P00797 1/20 0.51
CTSK P43235 3/20 0.51
CTSB P07858 2/20 0.51
CASP5 P51878 1/20 0.51
CASP6 P55212 1/20 0.51

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
SCHEMBL614741 1.00 CASP3 (0.62) CASP3CASP7CASP1CASP9MME
SCHEMBL7112627 0.96 CASP3 (0.58) CASP3CASP7CASP1CASP9MME
SCHEMBL3692638 0.96 CASP3 (0.58) CASP3CASP7CASP1CASP9MME
SCHEMBL7383742 0.95 CASP3 (0.67) CASP3CASP7CASP1CASP9MME
SCHEMBL4420464 0.95 CASP3 (0.67) CASP3CASP7CASP1CASP9MME
SCHEMBL3692630 0.94 CASP3 (0.56) CASP3CASP7CASP1CASP9MME
SCHEMBL18740358 0.92 CASP3 (0.58) CASP3CASP7CASP1CASP9CASP4
SCHEMBL29453232 0.92 MME (0.58) CASP3CASP1MMEECE1CTSK
SCHEMBL30579903 0.91 REN (0.59) CASP3CASP7CASP1CASP9CASP8
SCHEMBL7155003 0.91 MME (0.59) CASP3CASP1MMEECE1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050276809-A1 comprising antibodies that specifically bind caspase-8 as inhibitors; cancer; activation of the receptor-interacting protein (RIP, a serine-threonine kinase) and Jun N-terminal kinase induce cell death with the morphology of autophagy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-12-15 US claimed
US-20130316958-A1 HIGHLY POTENT PEPTIDES TO CONTROL CANCER AND NEURODEGENERATIVE DISEASES UNIVERSITY OF SOUTHERN CALIFORNIA 2013-11-28 US disclosed
WO-2012015836-A1 HIGHLY POTENT PEPTIDES TO CONTROL CANCER AND NEURODEGENERATIVE DISEASES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-02-02 WO disclosed
US-7838645-B2 comprising antibodies that specifically bind caspase-8 as inhibitors; cancer; activation of the receptor-interacting protein (RIP, a serine-threonine kinase) and Jun N-terminal kinase induce cell death with the morphology of autophagy UNIVERSITY OF MARYLAND COLLEGE PARK (US) 2010-11-23 US disclosed
WO-2010011952-A2 HIGHLY POTENT PEPTIDES TO CONTROL CANCER AND NEURODEGENERATIVE DISEASES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2010-01-28 WO disclosed
US-20050276809-A1 comprising antibodies that specifically bind caspase-8 as inhibitors; cancer; activation of the receptor-interacting protein (RIP, a serine-threonine kinase) and Jun N-terminal kinase induce cell death with the morphology of autophagy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-12-15 US disclosed