SCHEMBL9198523

SCHEMBL9198523

CCc1ccc(CC)c(C(O)C(C)N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.38
ADRA1A P35348 2/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 2/20 0.37
BLM P54132 2/20 0.37
KMT2A Q03164 2/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
MEN1 O00255 1/20 0.37
TRPA1 O75762 1/20 0.37
KDM4E B2RXH2 5/20 0.36
LMNA P02545 4/20 0.36
HIF1A Q16665 2/20 0.36
ADRA2C P18825 1/20 0.36
RECQL P46063 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL9632774 0.85 MAPK1 (0.41) CYP2D6MAPK1AKR1C3AKR1C2TRPA1
SCHEMBL27952976 0.82 TRPA1 (0.42) MAPK1KMT2AAKR1C3AKR1C2TRPA1
SCHEMBL28806591 0.80 NPC1 (0.41) MAPK1AKR1C3AKR1C2TRPA1LMNA
SCHEMBL10506289 0.79 ADRA2A (0.65) ADRA2AADRA1ACYP2D6MAPK1BLM
SCHEMBL9735383 0.77 CYP1A2 (0.43) CYP2D6MAPK1AKR1C3AKR1C2TRPA1
SCHEMBL9197147 0.77 ADRA2A (0.48) ADRA2AADRA1ACYP2D6MAPK1BLM
SCHEMBL16959886 0.74 ALDH1A1 (0.40) MAPK1AKR1C3AKR1C2TRPA1LMNA
SCHEMBL9461082 0.73 TRPA1 (0.55) ADRA1ACYP2D6MAPK1BLMKMT2A
SCHEMBL14185860 0.72 KDM4E (0.57) ADRA2AADRA1AMAPK1BLMKMT2A
SCHEMBL835214 0.72 KDM4E (0.57) ADRA2AADRA1AMAPK1BLMKMT2A

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