SCHEMBL7986256

SCHEMBL7986256

CC(C)(C)OC(=O)NC(=N)c1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MAPT P10636 1/20 0.35
CTSS P25774 3/20 0.35
CTSK P43235 3/20 0.35
PPARG P37231 6/20 0.34
PPARA Q07869 6/20 0.34
PPARD Q03181 2/20 0.34
MIF P14174 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
TRPA1 O75762 1/20 0.34
APLNR P35414 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6564601 0.84 ALDH1A1 (0.37) MAPTSMN1; SMN2
SCHEMBL7158402 0.83 PPARG (0.47) CTSSCTSKPPARGPPARAPPARD
SCHEMBL15149335 0.82 MIF (0.48) NFKB1NFKB2RELAMAPTCTSS
SCHEMBL617014 0.82 MAPT (0.52) NFKB1NFKB2RELAMAPTPPARG
SCHEMBL32687527 0.81 RAB9A (0.49) NFKB1NFKB2RELAMAPTCTSS
SCHEMBL616504 0.81 CA1 (0.46) NFKB1NFKB2RELAMAPTRAB9A
SCHEMBL7438712 0.81 ADRB2 (0.40) NFKB1NFKB2RELAMAPTPPARG
SCHEMBL7422422 0.81 NFKB1 (0.39) NFKB1NFKB2RELAMAPTPPARG
SCHEMBL7989442 0.80 CTSK (0.30) CTSK
Hydrochloric Acid SCHEMBL6244078 0.79 CTSS (0.41) NFKB1NFKB2RELAMAPTCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 EP disclosed
EP-0730590-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-11 EP disclosed