SCHEMBL16690488

SCHEMBL16690488

Oc1ccc2ccc(O)c(-c3ccccc3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.65
ESR2 Q92731 6/20 0.65
HSD17B1 P14061 6/20 0.63
HSD17B2 P37059 6/20 0.63
CYP1A2 P05177 5/20 0.63
CYP3A4 P08684 4/20 0.63
CYP2D6 P10635 4/20 0.63
CYP2C9 P11712 4/20 0.63
CYP2B6 P20813 4/20 0.63
CYP2C19 P33261 4/20 0.63
ALOX5 P09917 1/20 0.48
CDK4 P11802 4/20 0.46
CCND1 P24385 4/20 0.46
CYP19A1 P11511 1/20 0.45
CCNB2 O95067 1/20 0.43
CCNE2 O96020 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL16690537 0.90 ESR1 (0.62) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL10581021 0.87 ESR1 (0.78) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL12251173 0.83 ESR1 (0.44) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL29848183 0.83 ESR1 (0.44) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL619730 0.82 ESR1 (0.61) ESR1ESR2HSD17B1HSD17B2CYP1A2
Water SCHEMBL15639792 0.81 ESR1 (0.43) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL29004377 0.81 ESR1 (0.60) ESR1ESR2HSD17B1HSD17B2CYP1A2
Ammonia Solution, Strong SCHEMBL10871253 0.80 ESR1 (0.59) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL3927262 0.79 ESR1 (1.00) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL19547909 0.78 ESR1 (0.67) ESR1ESR2HSD17B1HSD17B2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105658606-B Anthracene based compound, luminescent layer material, use its organic electroluminescent device, display device and lighting device 捷恩智株式会社 2018-01-09 CN disclosed
WO-2015064560-A1 ANTHRACENE COMPOUND; LIGHT-EMITTING-LAYER MATERIAL; AND ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE USING SAME JNC株式会社 2015-05-07 WO disclosed