SCHEMBL987337

SCHEMBL987337

Brc1ccccc1C=C(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.44
CYP19A1 P11511 2/20 0.44
CYP11B2 P19099 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
ESR1 P03372 1/20 0.41
EGFR P00533 1/20 0.40
BCHE P06276 1/20 0.39
PTGS2 P35354 1/20 0.38
RELA Q04206 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IKBKB O14920 1/20 0.35
DYRK2 Q92630 1/20 0.35
LY96 Q9Y6Y9 1/20 0.34
GPR52 Q9Y2T5 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
SCHEMBL4612468 0.84 CYP19A1 (0.52) CYP19A1CYP11B2TDP1ESR1PTGS2
SCHEMBL2428830 0.81 HSD11B1 (0.42) HSD11B1EGFRBCHERELAALDH1A1
SCHEMBL14860824 0.81 HSD11B1 (0.42) HSD11B1EGFRBCHERELAALDH1A1
SCHEMBL14860823 0.81 HSD11B1 (0.42) HSD11B1EGFRBCHERELAALDH1A1
SCHEMBL561349 0.77 CYP19A1 (0.47) CYP19A1CYP11B2TDP1ESR1PTGS2
SCHEMBL28580153 0.76 HSD11B1 (0.43) HSD11B1TDP1EGFRBCHERELA
SCHEMBL28580151 0.76 HSD11B1 (0.47) HSD11B1BCHERELAALDH1A1NPSR1
SCHEMBL27567095 0.76 TRPA1 (0.48) CYP19A1CYP11B2TDP1ESR1ALDH1A1
SCHEMBL21198595 0.75 CES2 (0.48) HSD11B1BCHEALDH1A1CYP1A2CYP2C9
SCHEMBL21198594 0.75 CES2 (0.48) HSD11B1BCHEALDH1A1CYP1A2CYP2C9

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-1063869-B1 METHOD FOR SELECTING ORGANIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO (JP) 2011-04-06 EP disclosed
EP-2270117-A2 Organic electroluminescence device Idemitsu Kosan Co., Ltd. (JP) 2011-01-05 EP disclosed
US-20060159959-A1 Organic electroluminescence device with organic compound layer containing lower than 500 ppm of a halogen-containing compound IDEMITSU KOSAN CO., LTD. (JP) 2006-07-20 US disclosed
US-7045950-B2 Organic electroluminescence device with organic compound layer containing lower than 500 PPM of a halogen-containing compound IDEMITSU KOSAN CO., LTD. (JP) 2006-05-16 US disclosed
US-20040007971-A1 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2004-01-15 US disclosed
US-6617051-B1 Organic emitting layer sandwiched between a pair of electrodes, wherein at least one organic compound layer is formed from an organic compound material having an impurity concentration of lower than 1000 ppm. IDEMITSU KOSAN CO., LTD. (JP) 2003-09-09 US disclosed
EP-1063869-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-12-27 EP disclosed