SCHEMBL7120862

SCHEMBL7120862

Cc1cc(=O)oc2cc(N)ccc12.O=C(O)N(O)N1C(=O)CCC1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.61
KDM4E B2RXH2 9/20 0.61
GLA P06280 7/20 0.61
GAA P10253 7/20 0.61
HPGD P15428 6/20 0.61
HSD17B10 Q99714 5/20 0.61
CA12 O43570 4/20 0.61
CA9 Q16790 4/20 0.61
CASP1 P29466 3/20 0.61
CASP7 P55210 3/20 0.61
CA1 P00915 3/20 0.61
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
AKR1B1 P15121 1/20 0.45
UGT1A1 P22309 1/20 0.45
MAOB P27338 1/20 0.45
KDR P35968 1/20 0.45
HSD17B3 P37058 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL7120858 0.84 KDM4E (0.64) ALDH1A1KDM4EGLAGAAHPGD
Acetic Acid SCHEMBL3998167 0.80 ALDH1A1 (0.84) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL37677 0.78 ALDH1A1 (1.00) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL28806970 0.78 ALDH1A1 (1.00) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL29645144 0.78 ALDH1A1 (1.00) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL8945497 0.78 KDM4E (0.63) ALDH1A1KDM4EGLAGAAHPGD
Hydrochloric Acid SCHEMBL567469 0.77 ALDH1A1 (0.96) ALDH1A1KDM4EGLAGAAHPGD
Bromide SCHEMBL18007249 0.77 ALDH1A1 (0.96) ALDH1A1KDM4EGLAGAAHPGD
Hydrochloric Acid SCHEMBL2545954 0.77 ALDH1A1 (0.96) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL1037558 0.77 ALDH1A1 (0.96) ALDH1A1KDM4EGLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6632629-B2 Microfluidic in-line labeling method of continuous-flow protease inhibition analysis CALIPER TECHNOLOGIES CORP. 2003-10-14 US claimed
US-20030064425-A1 Microfluidic in-line labeling method for continuous-flow protease inhibition analysis CALIPER TECHNOLOGIES CORP. 2003-04-03 US claimed
US-6468761-B2 Microfluidic in-line labeling method for continuous-flow protease inhibition analysis CALIPER TECHNOLOGIES, CORP. 2002-10-22 US claimed
US-20010026929-A1 Microfluidic in-line labeling method for continuous-flow protease inhibition analysis CALIPER TECHNOLOGIES CORP. 2001-10-04 US claimed
EP-0533200-A1 Preparation and use of novel activated carbamates WATERS INVESTMENTS LIMITED (US) 1993-03-24 EP claimed
US-6632629-B2 Microfluidic in-line labeling method of continuous-flow protease inhibition analysis CALIPER TECHNOLOGIES CORP. 2003-10-14 US disclosed
US-20030064425-A1 Microfluidic in-line labeling method for continuous-flow protease inhibition analysis CALIPER TECHNOLOGIES CORP. 2003-04-03 US disclosed
US-6468761-B2 Microfluidic in-line labeling method for continuous-flow protease inhibition analysis CALIPER TECHNOLOGIES, CORP. 2002-10-22 US disclosed
US-20010026929-A1 Microfluidic in-line labeling method for continuous-flow protease inhibition analysis CALIPER TECHNOLOGIES CORP. 2001-10-04 US disclosed