SCHEMBL7786029

SCHEMBL7786029

Cc1ccccc1C(O)CBr

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.45
GAA P10253 1/20 0.41
ACP3 P15309 1/20 0.39
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP3A4 P08684 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 2/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
MC4R P32245 1/20 0.35
AOC3 Q16853 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
SLC22A2 O15244 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
SCHEMBL16706946 0.82 ALDH1A1 (0.33) ESR1GAATSHRSLC6A2CYP3A4
SCHEMBL16706940 0.82 ALDH1A1 (0.33) ESR1GAATSHRSLC6A2CYP3A4
SCHEMBL8128080 0.80 ADRA2A (0.44) ESR1TSHRACHEALDH1A1ADRB2
SCHEMBL17660054 0.80 ESR1 (0.46) ESR1GAAACP3TSHRACHE
SCHEMBL3929484 0.80 LMNA (0.52) ESR1GAAACP3TSHRACHE
SCHEMBL2543874 0.80 ESR1 (0.46) ESR1GAAACP3TSHRACHE
SCHEMBL7153630 0.80 ESR1 (0.46) ESR1GAAACP3TSHRACHE
SCHEMBL6481460 0.80 ESR1 (0.46) ESR1GAAACP3TSHRACHE
SCHEMBL22445613 0.80 ESR1 (0.46) ESR1GAAACP3TSHRACHE
SCHEMBL593087 0.80 LMNA (0.52) ESR1GAAACP3TSHRACHE

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