SCHEMBL28036344

SCHEMBL28036344

O=C(O)CCOc1ccc(N2CCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.59
KCNH2 Q12809 1/20 0.59
MAPT P10636 8/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TP53 P04637 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPC1 O15118 4/20 0.52
GAA P10253 3/20 0.52
RAB9A P51151 3/20 0.52
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALOX15 P16050 1/20 0.48
ITGB3 P05106 1/20 0.48

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 SCHEMBL11826017 0.83 ITGB3 (0.63) HRH3KCNH2MAPTSMN1; SMN2KDM4E
SCHEMBL16216136 0.80 HRH3 (0.66) HRH3KCNH2MAPTKDM4EALDH1A1
SCHEMBL7804413 0.79 MAPT (0.60) MAPTSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL7726446 0.79 HRH3 (0.68) HRH3
SCHEMBL4720769 0.77 HRH3 (0.66) HRH3KCNH2MAPTSMN1; SMN2KDM4E
SCHEMBL4723204 0.77 HRH3 (0.71) HRH3KCNH2MAPTSMN1; SMN2KDM4E
SCHEMBL7334548 0.77 ITGB3 (0.62) HRH3MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7817803 0.76 MAPT (0.55) MAPTSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL25192696 0.76 MAPT (0.53) HRH3MAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL31233099 0.76 MAPT (0.53) HRH3MAPTSMN1; SMN2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105101947-A Dyeing method using iridoid compound and apparatus therefor OREAL 2015-11-25 CN disclosed
CN-105073723-A Compounds derived from protected or unprotected iridoids, compositions comprising same, use as dyes for keratin fibres and devices OREAL 2015-11-18 CN disclosed
CN-105073757-A Dyeing method using a hair-dyeing precursor obtained from iridoids, composition, precursor and device including same OREAL 2015-11-18 CN disclosed