SCHEMBL17452022

SCHEMBL17452022

Cc1ccc2c(-c3ccc(-c4cccc5ccccc45)cc3)c3cc([Si](C)(C)C)ccc3c(-c3cccc4ccccc34)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 3/20 0.43
▸ ENPP3 O14638 1/20 0.43
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 1/20 0.38
▸ DHFR P00374 1/20 0.36
▸ PPARG P37231 3/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ CA12 O43570 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 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
SCHEMBL17567431 0.95 ENPP1 (0.43) ENPP1ENPP3MAOAMAOBPPARG
SCHEMBL17935584 0.94 ENPP1 (0.45) ENPP1ENPP3DHFRPPARGPPARA
SCHEMBL17452017 0.91 CYP1A2 (0.37) ENPP1ENPP3MAOAMAOBDHFR
SCHEMBL17934708 0.89 ENPP1 (0.45) ENPP1ENPP3PPARGPPARACYP2C19
SCHEMBL126261 0.87 ALDH1A1 (0.40) ENPP1ENPP3DHFRPPARGPPARA
SCHEMBL126429 0.87 ALDH1A1 (0.40) ENPP1ENPP3DHFRPPARGPPARA
SCHEMBL17935585 0.87 ALDH1A1 (0.40) ENPP1ENPP3DHFRPPARGPPARA
SCHEMBL12023379 0.87 ALDH1A1 (0.42) ENPP1ENPP3DHFRGPR84KDM4E
SCHEMBL16352619 0.87 ALDH1A1 (0.42) ENPP1ENPP3DHFRGPR84KDM4E
SCHEMBL16352625 0.87 ALDH1A1 (0.42) ENPP1ENPP3DHFRGPR84KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160211458-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 — — US disclosed
US-20160020405-A1 ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 — — US disclosed
US-20160020405-A1 ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 — — US disclosed
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