SCHEMBL8074285

SCHEMBL8074285

[C-]#[N+]c1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.58
KDM4E B2RXH2 9/20 0.58
HPGD P15428 7/20 0.58
HSD17B10 Q99714 7/20 0.58
GAA P10253 6/20 0.58
GLA P06280 5/20 0.58
CA9 Q16790 5/20 0.58
CA12 O43570 4/20 0.58
CASP1 P29466 3/20 0.58
CASP7 P55210 3/20 0.58
CA1 P00915 3/20 0.58
LMNA P02545 2/20 0.58
AKR1B1 P15121 2/20 0.58
MCL1 Q07820 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
UGT1A1 P22309 1/20 0.58
MAOB P27338 1/20 0.58
KDR P35968 1/20 0.58
HSD17B3 P37058 1/20 0.58

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
SCHEMBL12137375 0.87 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL724134 0.77 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10GAA
Hydrochloric Acid SCHEMBL30117164 0.75 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL6385935 0.75 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL30424058 0.75 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL26499362 0.75 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL13351005 0.74 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL12329693 0.74 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10GAA
Hymecromone SCHEMBL2357040 0.74 HSD17B3 (1.00) ALDH1A1KDM4EHPGDHSD17B10GAA
Hymecromone SCHEMBL29624431 0.74 HSD17B3 (1.00) ALDH1A1KDM4EHPGDHSD17B10GAA

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
EP-0553741-B1 Fluorogenic and chromogenic betalactamase substrates BECTON DICKINSON CO (US) 2000-08-23 EP claimed
US-5516902-A CHROMOGENS AND FLUOROGENS TO DETECT B-LACTAMASE BECTON, DICKINSON AND COMPANY (US) 1996-05-14 US claimed
EP-0553741-A2 Fluorogenic and chromogenic betalactamase substrates Becton, Dickinson and Company (US) 1993-08-04 EP claimed
EP-0553741-B1 Fluorogenic and chromogenic betalactamase substrates BECTON DICKINSON CO (US) 2000-08-23 EP disclosed
US-5583217-A CEPHALOSPORIN DERIVATIVES WHICH FORM FLUORESCENT OR COLORED PRODUCTS WHEN HYDROLYZED BECTON, DICKINSON AND COMPANY (US) 1996-12-10 US disclosed
US-5516902-A CHROMOGENS AND FLUOROGENS TO DETECT B-LACTAMASE BECTON, DICKINSON AND COMPANY (US) 1996-05-14 US disclosed
US-5514561-A ASSAYING USING A CEPHALOSPORIN DERIVATIVE BECTON, DICKINSON AND COMPANY (US) 1996-05-07 US disclosed
EP-0467318-B1 Fluorogenic tryptophanase substrates BECTON DICKINSON CO (US) 1995-04-26 EP disclosed
US-5338843-A Cephalosporin derivatives; detecting antibiotic resistance BECTON, DICKINSON AND COMPANY (US) 1994-08-16 US disclosed
EP-0553741-A2 Fluorogenic and chromogenic betalactamase substrates Becton, Dickinson and Company (US) 1993-08-04 EP disclosed
EP-0467318-A1 Fluorogenic tryptophanase substrates Becton, Dickinson and Company (US) 1992-01-22 EP disclosed
US-5055594-A Identifying microorganisms BECTON, DICKINSON AND COMPANY (US) 1991-10-08 US disclosed