SCHEMBL17935586

SCHEMBL17935586

C[Si](C)(C)c1ccc2c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3cc([Si](C)(C)C)ccc3c(-c3ccccc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 9/20 0.42
▸ ESR2 Q92731 8/20 0.42
▸ CYP1A2 P05177 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ CYP17A1 P05093 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ LPL P06858 1/20 0.39
▸ LIPG Q9Y5X9 1/20 0.39
▸ HSD17B1 P14061 2/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ GPR84 Q9NQS5 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39

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
SCHEMBL125734 0.97 CYP1A2 (0.41) ESR1ESR2CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL126430 0.96 ESR1 (0.42) ESR1ESR2CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL13995125 0.95 ESR1 (0.42) ESR1ESR2CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL16352617 0.95 CYP1A2 (0.42) ESR1ESR2CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL23027127 0.95 ESR1 (0.39) ESR1ESR2CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL16352623 0.94 ESR1 (0.43) ESR1ESR2CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL17567428 0.93 ALDH1A1 (0.42) ESR1ESR2CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL16805209 0.92 ESR1 (0.41) ESR1ESR2CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL16352621 0.91 IKBKB (0.42) ESR1ESR2CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL16352618 0.89 IKBKB (0.41) ESR1ESR2CYP1A2ALDH1A1SMN1; SMN2

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
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 — — US disclosed
US-20160211458-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 — — US disclosed
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