SCHEMBL11055620

SCHEMBL11055620

COc1cc2c(cc1O)CC1NCCc3cc(OC)c(O)c-2c31

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
KDM4E B2RXH2 5/20 0.69
HPGD P15428 5/20 0.69
MAPT P10636 4/20 0.69
KMT2A Q03164 3/20 0.69
LMNA P02545 1/20 0.69
POLB P06746 1/20 0.69
HTT P42858 1/20 0.69
MCL1 Q07820 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
HSD17B10 Q99714 5/20 0.61
CYP2D6 P10635 4/20 0.61
TP53 P04637 3/20 0.61
CYP3A4 P08684 3/20 0.61
CASP1 P29466 3/20 0.61
CYP2C19 P33261 3/20 0.61
CYP2C9 P11712 2/20 0.61
MEN1 O00255 2/20 0.61
CASP7 P55210 2/20 0.61

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
SCHEMBL27850407 1.00 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL29398835 1.00 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL9976810 0.94 DRD2 (0.63) ALDH1A1KDM4EHPGDMAPTKMT2A
Laurotetanine SCHEMBL31300083 0.89 DRD2 (0.74) ALDH1A1KDM4EHPGDMAPTKMT2A
Laurotetanine SCHEMBL905125 0.89 DRD2 (0.74) ALDH1A1KDM4EHPGDMAPTKMT2A
Laurotetanine SCHEMBL905065 0.89 DRD2 (0.74) ALDH1A1KDM4EHPGDMAPTKMT2A
Norboldine SCHEMBL14367906 0.88 DRD1 (0.71) ALDH1A1KDM4EHPGDMAPTKMT2A
Norboldine SCHEMBL29402012 0.88 DRD1 (0.71) ALDH1A1KDM4EHPGDMAPTKMT2A
Norboldine SCHEMBL29886755 0.88 DRD1 (0.71) ALDH1A1KDM4EHPGDMAPTKMT2A
Norboldine SCHEMBL27987614 0.88 DRD1 (0.71) ALDH1A1KDM4EHPGDMAPTKMT2A

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
US-4461895-A FOR COMBATTING COLDS AND ALLERGIES WARNER-LAMBERT COMPANY (US) 1984-07-24 US disclosed
EP-0064685-A1 Dibenzo(de,g)quinolines, processes for their preparation and pharmaceutical preparations containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1982-11-17 EP disclosed