SCHEMBL7860030

SCHEMBL7860030

CCCCc1cccc(C(=O)CBr)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.49
CYP4A11 Q02928 3/20 0.49
GSK3B P49841 2/20 0.47
PTPN1 P18031 2/20 0.47
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
LPL P06858 2/20 0.44
LIPG Q9Y5X9 2/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
MAP1LC3B Q9GZQ8 1/20 0.43
MAP1LC3A Q9H492 1/20 0.43

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
SCHEMBL11827400 0.95 LPL (0.50) CYP4F2CYP4A11GSK3BPTPN1SPHK2
SCHEMBL5052377 0.90 GSK3B (0.50) CYP4F2CYP4A11GSK3BPTPN1MAP1LC3B
SCHEMBL19466330 0.87 CYP4F2 (0.53) CYP4F2CYP4A11SPHK2SPHK1LPL
SCHEMBL12221840 0.87 CYP4F2 (0.51) CYP4F2CYP4A11SPHK2SPHK1LPL
SCHEMBL22699044 0.85 CYP4F2 (0.50) CYP4F2CYP4A11SPHK2SPHK1THRA
SCHEMBL8098007 0.85 CYP4F2 (0.53) CYP4F2CYP4A11SPHK2SPHK1LPL
SCHEMBL11757933 0.83 CYP4F2 (0.54) CYP4F2CYP4A11SPHK2SPHK1LPL
SCHEMBL4344951 0.83 GSK3B (0.53) CYP4F2CYP4A11GSK3BPTPN1
SCHEMBL30988817 0.83 GSK3B (0.53) CYP4F2CYP4A11GSK3BPTPN1
SCHEMBL19117815 0.83 CYP4F2 (0.49) CYP4F2CYP4A11SPHK2SPHK1LPL

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
US-6156940-A Process for producing optically active carbinols SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 2000-12-05 US 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-5831132-A REDUCING AGENT FROM BORANES AND AMINO ALCOHOLS SUMIKA FINE CHEMICALS COMPANY, LTD. (JP) 1998-11-03 US disclosed
US-5801280-A Processes for preparing optically active alcohols and optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-01 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-0713848-A1 Process for producing optically active carbinols SUMIKA FINE CHEMICALS Company, Limited (JP) 1996-05-29 EP disclosed
US-4033978-A Thiacycl[2.2.2]azine carboxylic acids SYNTEX (U.S.A.) INC. (US) 1977-07-05 US disclosed