SCHEMBL7340397

SCHEMBL7340397

CNC(CCc1cccc(OC)c1OC)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSG P08311 1/20 0.49
CMA1 P23946 1/20 0.49
ALDH1A1 P00352 4/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ECE1 P42892 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HIF1A Q16665 1/20 0.46
ATM Q13315 1/20 0.45
KDM4E B2RXH2 4/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL31688471 1.00 CTSG (0.49) CTSGCMA1ALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL8065739 0.99 CTSG (0.48) CTSGCMA1ALDH1A1CA12CA1
SCHEMBL31369895 0.87 MTNR1A (0.52) ALDH1A1KMT2AMEN1HPGDHTT
SCHEMBL6843513 0.87 CTSG (0.50) CTSGCMA1ALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL7335341 0.82 PTGES (0.45) ALDH1A1KMT2AMEN1ATMKDM4E
SCHEMBL7331445 0.81 ALDH1A1 (0.51) CTSGCMA1ALDH1A1CA12CA1
Hydrochloric Acid SCHEMBL8959813 0.80 ALDH1A1 (0.50) CTSGCMA1ALDH1A1CA12CA1
SCHEMBL21715383 0.77 MMP12 (0.48) CTSGCMA1ALDH1A1CA12CA1
SCHEMBL30753443 0.77 MMP12 (0.48) CTSGCMA1ALDH1A1CA12CA1
SCHEMBL30753444 0.77 MMP12 (0.48) CTSGCMA1ALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788472-A1 A PROCESS FOR THE PREPARATION OF 5,6-DIHYDROXY-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES CHIESI FARMACEUTICI S.p.A. (IT) 1997-08-13 EP disclosed
WO-1995029147-A1 A PROCESS FOR THE PREPARATION OF 5,6-DIHYDROXY-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES CHIESI FARMACEUTICI S.P.A. (IT) 1995-11-02 WO disclosed