SCHEMBL7779154

SCHEMBL7779154

COc1c(F)cccc1C(O)CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 2/20 0.35
KCNH2 Q12809 2/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HRH1 P35367 1/20 0.35
ADRA1B P35368 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
KCNQ1 P51787 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
AOC3 Q16853 1/20 0.35
PABPC1 P11940 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRB3 P13945 1/20 0.34
ADRA2C P18825 1/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL21816523 0.85 TSHR (0.36) ADRA2BKCNH2DRD2DRD1HTR2A
SCHEMBL24370612 0.82 ADRA2A (0.37) ADRA2BKCNH2DRD2DRD1HTR2A
SCHEMBL7783852 0.81 TSHR (0.38) KCNH2HTR2AHTR2BAOC3KMT2A
SCHEMBL7783890 0.81 ALDH1A1 (0.48) ADRA2BKCNH2DRD2DRD1HTR2A
SCHEMBL7786046 0.81 AOC3 (0.36) AOC3ADRA2AKMT2ACYP3A4ALDH1A1
SCHEMBL7786322 0.80 ADRB2 (0.38) AOC3ADRB1KMT2ACYP3A4ALDH1A1
SCHEMBL31287509 0.80 TOP1 (0.45) ADRA2BKCNH2DRD2DRD1HTR2A
SCHEMBL24302770 0.78 ADRA2A (0.40) ADRA2BHTR2AHRH1ADRB1ADRA2A
SCHEMBL8132924 0.78 ALDH1A1 (0.45) ADRA2BKCNH2DRD2DRD1HTR2A
SCHEMBL7786040 0.76 CES2 (0.44) KCNH2OPRK1CYP3A4SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-6156940-A Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 2000-12-05 US disclosed
EP-0713848-B1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY (JP) 1999-09-08 EP disclosed
US-5831132-A REDUCING AGENT FROM BORANES AND AMINO ALCOHOLS SUMIKA FINE CHEMICALS COMPANY, LTD. (JP) 1998-11-03 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-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