SCHEMBL9706023

SCHEMBL9706023

COCCNC(=O)Oc1ccnc(OC(=O)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.46
LOX P28300 4/20 0.46
MAPK1 P28482 1/20 0.40
HPGD P15428 4/20 0.40
OPRM1 P35372 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37

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
SCHEMBL9354128 0.93 LOXL2 (0.48) LOXL2LOXMAPK1HPGDOPRM1
SCHEMBL9706016 0.93 ALDH1A1 (0.43) LOXL2LOXHPGDSMN1; SMN2
SCHEMBL9706102 0.90 LOXL2 (0.46) LOXL2LOXMAPK1HPGDOPRM1
SCHEMBL8781962 0.89 LOXL2 (0.47) LOXL2LOXMAPK1HPGDOPRM1
SCHEMBL9572972 0.87 LOXL2 (0.46) LOXL2LOXMAPK1HPGDCYP1A2
SCHEMBL9706010 0.82 HPGD (0.44) HPGD
SCHEMBL9568958 0.82 AAK1 (0.38) HPGD
SCHEMBL8782005 0.81 ALDH1A1 (0.43) LOXL2LOXHPGD
SCHEMBL9572913 0.81 ALDH1A1 (0.43) LOXL2LOXHPGDSMN1; SMN2
SCHEMBL9566810 0.81 LOXL2 (0.41) LOXL2LOXHPGDOPRM1SMN1; SMN2

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-0479177-A2 4- or 5-substituted pyridine-2-carboxylic acids, process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-08 EP disclosed