SCHEMBL4421773

SCHEMBL4421773

CCC(Br)C(=O)c1ccc(C(Br)c2ccc(C(=O)C(Br)CC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 2/20 0.41
CYP1A2 P05177 2/20 0.41
PGR P06401 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
AR P10275 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGS1 P23219 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL27625171 0.83 HDAC8 (0.33) LMNAHSD17B10ESR1HDAC8HDAC6
SCHEMBL3033043 0.82 SLC6A2 (0.47) LMNASLC6A2SLC6A3MAPTHDAC8
SCHEMBL3110619 0.82 GSK3B (0.48) LMNASLC6A2SLC6A3CHRM2DRD3
SCHEMBL2702007 0.81 PTPN1 (0.47) LMNASLC6A2SLC6A3TDP1ALDH1A1
SCHEMBL7878318 0.81 HTT (0.51) LMNAMAPTALOX15GSK3BALDH1A1
SCHEMBL2336670 0.80 PGR (0.52) LMNAHSD17B10PGRSLC6A2SLC6A3
SCHEMBL11225115 0.78 SMN1; SMN2 (0.55) LMNAHSD17B10CYP1A2MAPTHIF1A
SCHEMBL14893388 0.78 MAPT (0.50) SLC6A2SLC6A3MAPTTDP1ALDH1A1
SCHEMBL10852929 0.78 TAS1R3 (0.47) LMNAHSD17B10CYP1A2CYP3A4MAPT
SCHEMBL8071790 0.78 GSR (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
US-20060270748-A1 Novel trifunctional photoinitiators IGM GROUP B.V. (NL) 2006-11-30 US disclosed
EP-1620475-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-02-01 EP disclosed
WO-2004099262-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed