SCHEMBL8026358

SCHEMBL8026358

CCCC1N=C(c2ccccc2)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP1 O94782 1/20 0.37
WDR48 Q8TAF3 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PLA2G6 O60733 2/20 0.36
PLA2G4A P47712 1/20 0.36
CHRM1 P11229 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTR5A P47898 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CES2 O00748 1/20 0.35
GRM2 Q14416 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL10187056 0.90 GRM2 (0.40) USP1WDR48SMN1; SMN2PLA2G6PLA2G4A
SCHEMBL25658945 0.89 GRM2 (0.42) USP1WDR48PLA2G6PLA2G4AGRM2
SCHEMBL28867962 0.83 USP1 (0.37) USP1WDR48SMN1; SMN2MEN1KMT2A
SCHEMBL9462035 0.83 HDAC3 (0.40) USP1WDR48SMN1; SMN2MEN1KMT2A
SCHEMBL25907980 0.83 USP1 (0.35) USP1WDR48SMN1; SMN2MEN1KMT2A
SCHEMBL9461989 0.82 FASN (0.43) USP1WDR48PLA2G6PLA2G4ANPC1
SCHEMBL28464853 0.81 USP1 (0.34) USP1WDR48SMN1; SMN2MEN1KMT2A
SCHEMBL8054163 0.81 CCKBR (0.41) USP1WDR48SMN1; SMN2CHRM1MEN1
SCHEMBL5711327 0.80 CES2 (0.40) USP1WDR48SMN1; SMN2NPC1MAPT
SCHEMBL11120973 0.80 TAAR1 (0.42) USP1WDR48SMN1; SMN2PLA2G6PLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6130315-A SUBSTRATES IN WHICH THE SCISSILE AMIDE BOND HAS BEEN REPLACED BY AN ACTIVATED ELECTROPHILIC KETONE MOIETY; ANTIINFLAMMATORY AGENTS; ANTIPROLIFERATIVE/ANTICARCINOGENIC/ANTIARTHRITIC AGENTS; TREATMENT OF AUTOIMMUNE DISEASES MERRELL PHARMACEUTICALS INC. (US) 2000-10-10 US disclosed
EP-0977742-A1 THE PREPARATION OF ENANTIOMERICALLY ENRICHED OXAZOLONES AND ALPHA, ALPHA-DISUBSTITUTED AMINO ACIDS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-02-09 EP disclosed
US-5849866-A Peptidase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1998-12-15 US disclosed
WO-1998046578-A1 THE PREPARATION OF ENANTIOMERICALLY ENRICHED OXAZOLONES AND α,α-DISUBSTITUTED AMINO ACIDS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1998-10-22 WO disclosed
US-5496927-A INHIBITORS OF HUMAN LEUKOCYTE ELASTASE, CATHEPSIN G, CHYMOTRYPSIN MERRELL PHARMACEUTICALS INC. (US) 1996-03-05 US disclosed
EP-0195212-B1 Novel peptidase inhibitors MERRELL DOW PHARMA (US) 1993-11-24 EP disclosed
EP-0195212-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1986-09-24 EP disclosed