SCHEMBL6424932

SCHEMBL6424932

Cc1cc(=O)oc2cc(N)ccc12.NCC(=O)NCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.63
KDM4E B2RXH2 10/20 0.63
HPGD P15428 7/20 0.63
HSD17B10 Q99714 5/20 0.63
GLA P06280 5/20 0.63
GAA P10253 5/20 0.63
CA12 O43570 4/20 0.63
CA9 Q16790 4/20 0.63
CA1 P00915 3/20 0.63
CASP1 P29466 2/20 0.63
CASP7 P55210 2/20 0.63
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDR P35968 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
AKR1B1 P15121 1/20 0.46

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
Hydrochloric Acid SCHEMBL4170610 0.99 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10GLA
Glycine SCHEMBL335759 0.88 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDHSD17B10GLA
Glycine SCHEMBL4176892 0.86 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDHSD17B10GLA
Glycine SCHEMBL4627607 0.86 ALDH1A1 (0.75) ALDH1A1KDM4EHPGDHSD17B10GLA
Hydrochloric Acid SCHEMBL8520013 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL8768513 0.84 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL6245154 0.82 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10GLA
Beta-Alanine SCHEMBL4160809 0.82 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10GLA
Glycine SCHEMBL8520459 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10GLA
Hydrochloric Acid SCHEMBL4187358 0.81 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1352083-B1 COMPOSITIONS AND METHODS FOR DETECTING TARGET MICROORGANISMS IN A SAMPLE BIOCONTROL SYSTEMS INC (US) 2005-10-26 EP claimed