SCHEMBL17934708

SCHEMBL17934708

C[Si](C)(C)c1ccc2c(-c3ccc(-c4cccc5ccccc45)cc3)c3cc([Si](C)(C)C)ccc3c(-c3ccccc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 3/20 0.45
▸ ENPP3 O14638 1/20 0.45
▸ PPARG P37231 6/20 0.42
▸ PPARA Q07869 6/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL17935584 0.94 ENPP1 (0.45) ENPP1ENPP3PPARGPPARACYP2C9
SCHEMBL17567431 0.94 ENPP1 (0.43) ENPP1ENPP3PPARGPPARACYP2C9
SCHEMBL17935585 0.93 ALDH1A1 (0.40) ENPP1ENPP3PPARGPPARACYP2C9
SCHEMBL126261 0.93 ALDH1A1 (0.40) ENPP1ENPP3PPARGPPARACYP2C9
SCHEMBL126429 0.93 ALDH1A1 (0.40) ENPP1ENPP3PPARGPPARACYP2C9
SCHEMBL16352619 0.93 ALDH1A1 (0.42) ENPP1ENPP3ALDH1A1KDM4ETP53
SCHEMBL16352625 0.93 ALDH1A1 (0.42) ENPP1ENPP3ALDH1A1KDM4ETP53
SCHEMBL26761119 0.93 ENPP1 (0.43) ENPP1ENPP3PPARGPPARACYP2C9
SCHEMBL12023379 0.93 ALDH1A1 (0.42) ENPP1ENPP3ALDH1A1KDM4ETP53
SCHEMBL13995115 0.91 ENPP1 (0.42) ENPP1ENPP3PPARGPPARACYP2C9

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-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 — — US disclosed
US-20160211459-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 — — US disclosed
US-20160211457-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 — — US disclosed
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