SCHEMBL987336

SCHEMBL987336

Brc1ccccc1C(=Cc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
CYP19A1 P11511 2/20 0.48
CYP11B2 P19099 2/20 0.48
AKR1C3 P42330 1/20 0.42
PTGS2 P35354 1/20 0.42
AKR1C1 Q04828 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DHODH Q02127 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TBXAS1 P24557 1/20 0.38
PRMT1 Q99873 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL987332 1.00 ESR1 (0.50) ESR1CYP19A1CYP11B2AKR1C3PTGS2
SCHEMBL4612461 0.86 ESR1 (0.59) ESR1CYP19A1CYP11B2AKR1C3PTGS2
SCHEMBL4612464 0.86 ESR1 (0.59) ESR1CYP19A1CYP11B2AKR1C3PTGS2
SCHEMBL5945849 0.80 ESR1 (0.53) ESR1CYP19A1CYP11B2AKR1C3PTGS2
SCHEMBL55433 0.79 ESR1 (0.74) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL3771825 0.78 ESR1 (0.57) ESR1CYP19A1CYP11B2AKR1C3PTGS2
SCHEMBL7646238 0.77 MAPT (0.50) ESR1CYP19A1CYP11B2AKR1C3PTGS2
SCHEMBL8641797 0.77 MAPT (0.50) ESR1CYP19A1CYP11B2AKR1C3PTGS2
SCHEMBL420329 0.77 ESR1 (0.50) ESR1CYP19A1CYP11B2AKR1C3PTGS2
SCHEMBL4612465 0.77 ESR1 (0.78) ESR1CYP19A1CYP11B2PTGS2AKR1C1

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