SCHEMBL9197147

SCHEMBL9197147

CCc1ccccc1C(O)C(C)N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.48
LMNA P02545 2/20 0.48
HIF1A Q16665 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ADRA2C P18825 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP2D6 P10635 2/20 0.44
CYP3A4 P08684 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
ADRA1A P35348 2/20 0.41
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
TSHR P16473 2/20 0.38

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
SCHEMBL11602112 0.88 CYP3A4 (0.51) LMNAALDH1A1CYP2D6CYP3A4SLC6A2
SCHEMBL27650409 0.85 KDM4E (0.48) ADRA2ALMNAHIF1AKDM4EADRA2C
SCHEMBL6055405 0.84 CYP3A4 (0.50) ALDH1A1CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL25066278 0.84 CYP2D6 (0.42) LMNAALDH1A1CYP2D6CYP3A4SLC6A2
SCHEMBL13795689 0.84 CYP2D6 (0.42) LMNAALDH1A1CYP2D6CYP3A4SLC6A2
SCHEMBL8285923 0.84 CYP2D6 (0.42) LMNAALDH1A1CYP2D6CYP3A4SLC6A2
SCHEMBL9205996 0.83 CYP3A4 (0.43) ADRA2ALMNAHIF1AKDM4EADRA2C
Hydrochloric Acid SCHEMBL4936305 0.82 ALDH1A1 (0.44) LMNAALDH1A1CYP2D6CYP3A4SLC6A2
Hydrochloric Acid SCHEMBL14120793 0.82 ALDH1A1 (0.44) LMNAALDH1A1CYP2D6CYP3A4SLC6A2
SCHEMBL11079734 0.80 GABRA1 (0.37) LMNAALDH1A1CYP2D6CYP3A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0485069-B1 Process for producing optically active amines SUMITOMO CHEMICAL CO (JP) 1995-02-15 EP disclosed
US-5200561-A PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-04-06 US disclosed
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-0485069-A1 Process for producing optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-13 EP disclosed
EP-0237305-A2 A method for producing optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-09-16 EP disclosed