SCHEMBL7067451

SCHEMBL7067451

C=C(Oc1c(Br)cc(Br)cc1C(C)C)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.42
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
THRB P10828 4/20 0.39
THRA P10827 3/20 0.39
PTP4A1 Q93096 1/20 0.35
MEN1 O00255 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CASP1 P29466 1/20 0.34
CUL4A Q13619 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7065852 0.90 GPR35 (0.40) GPR35MAPTLMNAGABRA1GABRB1
SCHEMBL447954 0.89 MAPT (0.46) GPR35MAPTLMNAGABRA1GABRB1
SCHEMBL7618929 0.80 GABRA1 (0.41) GABRA1GABRB1THRBTHRAALDH1A1
SCHEMBL7063016 0.76 ALOX5 (0.39) GPR35MAPTLMNATHRBTHRA
SCHEMBL447804 0.74 GABRA1 (0.41) LMNAGABRA1GABRB1THRBTHRA
SCHEMBL30486245 0.74 GABRA1 (0.41) LMNAGABRA1GABRB1THRBTHRA
SCHEMBL7062178 0.74 TSHR (0.40) GABRA1GABRB1THRBTHRAMEN1
SCHEMBL446747 0.73 LMNA (0.43) GPR35MAPTLMNAGABRA1GABRB1
SCHEMBL1805856 0.72 TSHR (0.44) GABRA1GABRB1THRBTHRAMEN1
SCHEMBL28111007 0.71 HSD17B10 (0.46) MAPTLMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109776-B1 BROMINATED MATERIALS MINNESOTA MINING & MFG (US) 2003-06-04 EP claimed
EP-1109776-A1 BROMINATED MATERIALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-06-27 EP claimed
WO-2000014050-A1 BROMINATED MATERIALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-03-16 WO claimed
EP-1109776-B1 BROMINATED MATERIALS MINNESOTA MINING & MFG (US) 2003-06-04 EP disclosed
US-6533959-B2 Formed from monomers such as 2-(4,6-dibromo-2-isopropyl phenoxy)ethyl acrylate; high index of refraction, useful to control flow and intensity of light 3M INNOVATIVE PROPERTIES COMPANY 2003-03-18 US disclosed
US-6359170-B1 Brominated materials 3M INNOVATIVE PROPERTIES COMPANY 2002-03-19 US disclosed