SCHEMBL8038459

SCHEMBL8038459

CCCCNC(=O)NC(=O)c1c(Cl)cc(OC)c(O)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
KDR P35968 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TBXA2R P21731 2/20 0.37
EGFR P00533 1/20 0.37
HPGD P15428 1/20 0.37
G6PD P11413 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
ALOX12 P18054 1/20 0.36
MGLL Q99685 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8022533 0.94 G6PD (0.38) TRPV1KDRMAPTHPGDG6PD
SCHEMBL8025618 0.87 COMT (0.40) MAPTALDH1A1TBXA2RHPGDALOX12
SCHEMBL8035784 0.84 EPHX1 (0.40) TBXA2RMGLL
SCHEMBL8028329 0.83 G6PD (0.37) MAPTHPGDG6PDCRHBPCRHR2
SCHEMBL8036155 0.82 MEN1 (0.42) G6PDCRHBPCRHR2
SCHEMBL8034312 0.82 TBXA2R (0.38) TRPV1TBXA2REGFRMGLL
SCHEMBL8036201 0.81 EPHX2 (0.39) TRPV1TBXA2REGFRMGLL
SCHEMBL8038463 0.81 EPHX2 (0.39) TRPV1TBXA2REGFRMGLL
SCHEMBL8032230 0.81 MAPT (0.38) MAPTALDH1A1G6PDCRHBPCRHR2
SCHEMBL8037524 0.80 POLB (0.39) ALDH1A1SMN1; 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
WO-2009081892-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 WO disclosed