SCHEMBL7783897

SCHEMBL7783897

Cc1ccc(C)c([C@H](O)[C@@H](C)N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.42
ADRA2A P08913 2/20 0.42
CYP2D6 P10635 1/20 0.42
BLM P54132 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 5/20 0.41
LMNA P02545 4/20 0.41
HIF1A Q16665 2/20 0.41
ADRA2C P18825 1/20 0.41
TDP1 Q9NUW8 5/20 0.40
RECQL P46063 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5057097 1.00 ADRA1A (0.42) ADRA1AADRA2ACYP2D6BLMKMT2A
Hydrochloric Acid SCHEMBL8781949 0.98 BLM (0.44) ADRA1AADRA2ACYP2D6BLMKMT2A
SCHEMBL7787261 0.88 LMNA (0.44) ADRA1AADRA2ACYP2D6BLMKMT2A
SCHEMBL21360226 0.88 LMNA (0.44) ADRA1AADRA2ACYP2D6BLMKMT2A
SCHEMBL5057122 0.88 LMNA (0.44) ADRA1AADRA2ACYP2D6BLMKMT2A
SCHEMBL4169342 0.83 LMNA (0.42) ADRA1AKMT2AMEN1LMNATDP1
SCHEMBL4178220 0.83 LMNA (0.42) ADRA1AKMT2AMEN1LMNATDP1
SCHEMBL4161041 0.83 LMNA (0.42) ADRA1AKMT2AMEN1LMNATDP1
SCHEMBL9984624 0.83 ALDH1A1 (0.46) ADRA1ACYP2D6KMT2AMEN1KDM4E
SCHEMBL8285908 0.83 ALDH1A1 (0.46) ADRA1ACYP2D6KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736509-B1 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL CO (JP) 2001-11-14 EP disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-6025531-A REACTING A PROCHIRAL KETONE WITH A MIXTURE BORON-CONTAINING COMPOUNDS HAVING A BORANE REACTION PRODUCT FROM OPTICALLY ACTIVE BETA-AMINOALCOHOL AND A BORON HYDRIDE OR A METAL BOROHYDRIDE, AND AN OPTICALLY ACTIVE OXAZABOROLIDINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-15 US disclosed
EP-0713848-B1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY (JP) 1999-09-08 EP disclosed
US-5801280-A Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-01 US disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0736509-A2 Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-09 EP disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 EP disclosed
EP-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 EP disclosed