SCHEMBL9633340

SCHEMBL9633340

CCOc1ccccc1C(O)C(N)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CTDSP1 Q9GZU7 1/20 0.44
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 5/20 0.42
GLA P06280 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HCRTR1 O43613 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 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
SCHEMBL9633328 0.88 CYP2D6 (0.42) L3MBTL1KDM4EKMT2ATDP1MAPK1
SCHEMBL11603748 0.87 ALDH1A1 (0.54) ALDH1A1CTDSP1ALOX15L3MBTL1GLA
SCHEMBL7779145 0.84 ALDH1A1 (0.48) ALDH1A1CTDSP1ALOX15L3MBTL1GLA
SCHEMBL5050115 0.84 ALDH1A1 (0.48) ALDH1A1CTDSP1ALOX15L3MBTL1GLA
Hydrochloric Acid SCHEMBL9869331 0.83 ALDH1A1 (0.49) ALDH1A1CTDSP1ALOX15L3MBTL1GLA
SCHEMBL6055190 0.80 ALOX15 (0.51) ALDH1A1CTDSP1ALOX15L3MBTL1GLA
SCHEMBL12261507 0.80 ALDH1A1 (0.55) ALDH1A1CTDSP1ALOX15L3MBTL1GLA
SCHEMBL9632245 0.79 ADRA2A (0.45) KDM4EKMT2ATDP1MAPK1CYP2D6
SCHEMBL11603876 0.79 L3MBTL1 (0.49) ALDH1A1CTDSP1ALOX15L3MBTL1GLA
SCHEMBL9203944 0.78 KDM4E (0.43) ALDH1A1KDM4ETDP1MAPK1GAA

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
US-5145998-A Reduction of oxime or silyloxime SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-09-08 US disclosed
EP-0237305-B1 A METHOD FOR PRODUCING OPTICALLY ACTIVE AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-03 EP disclosed
EP-0237305-A2 A method for producing optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-09-16 EP disclosed