SCHEMBL986592

SCHEMBL986592

Brc1ccc(-c2ccccc2)c(/C(=C\c2ccccc2)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
CYP19A1 P11511 2/20 0.40
CYP11B2 P19099 2/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 3/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C1 Q04828 2/20 0.39
AKR1C2 P52895 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
THRB P10828 1/20 0.36
ALOX12 P18054 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL986594 1.00 ESR1 (0.41) ESR1CYP19A1CYP11B2MAPTPOLB
SCHEMBL28647394 0.95 ESR1 (0.40) ESR1CYP19A1CYP11B2MAPTPOLB
SCHEMBL828193 0.80 ESR1 (0.48) ESR1CYP19A1CYP11B2AKR1C3AKR1C1
SCHEMBL828195 0.80 ESR1 (0.48) ESR1CYP19A1CYP11B2AKR1C3AKR1C1
SCHEMBL17967369 0.77 MAPT (0.47) ESR1CYP19A1CYP11B2MAPTPOLB
SCHEMBL17967368 0.77 MAPT (0.47) ESR1CYP19A1CYP11B2MAPTPOLB
SCHEMBL14928213 0.75 ESR1 (0.64) ESR1CYP19A1CYP11B2MAPTPOLB
SCHEMBL987335 0.75 ESR1 (0.64) ESR1CYP19A1CYP11B2MAPTPOLB
SCHEMBL27846554 0.75 ESR1 (0.64) ESR1CYP19A1CYP11B2MAPTPOLB
SCHEMBL28397110 0.74 ESR1 (0.55) ESR1CYP19A1CYP11B2MAPTAKR1C1

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