SCHEMBL7787303

SCHEMBL7787303

Cc1cccc(C(O)CBr)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.44
ACHE P22303 2/20 0.44
OPRK1 P41145 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
HIF1A Q16665 3/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRB3 P13945 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
NFKB1 P19838 1/20 0.42
DRD1 P21728 1/20 0.42
HTR7 P34969 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL875416 0.83 LMNA (0.59) ACP3ACHEOPRK1TAAR1HIF1A
SCHEMBL22785850 0.83 TSHR (0.44) ACP3ACHEOPRK1TAAR1HIF1A
SCHEMBL16072433 0.83 TSHR (0.44) ACP3ACHEOPRK1TAAR1HIF1A
SCHEMBL31376562 0.83 TSHR (0.44) ACP3ACHEOPRK1TAAR1HIF1A
SCHEMBL6980256 0.83 TSHR (0.44) ACP3ACHEOPRK1TAAR1HIF1A
SCHEMBL3928172 0.83 LMNA (0.59) ACP3ACHEOPRK1TAAR1HIF1A
SCHEMBL13657377 0.83 LMNA (0.59) ACP3ACHEOPRK1TAAR1HIF1A
SCHEMBL24454254 0.82 PNMT (0.56) ACP3ACHEOPRK1TAAR1HIF1A
SCHEMBL7485238 0.82 PNMT (0.56) ACP3ACHEOPRK1TAAR1HIF1A
SCHEMBL4598022 0.82 PNMT (0.56) ACP3ACHEOPRK1TAAR1HIF1A

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