SCHEMBL12031822

SCHEMBL12031822

C[Si](C)(C)c1ccc2cc(-c3cccc4c(-c5ccc([Si](C)(C)C)c6ccccc56)cccc34)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP2B6 P20813 1/20 0.35
PIM1 P11309 2/20 0.34
MET P08581 1/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
GSTP1 P09211 1/20 0.33
ESR2 Q92731 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
TDO2 P48775 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL12031828 0.97 CYP1A2 (0.37) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL12031821 0.88 CYP2C9 (0.39) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL12031827 0.88 CYP1A2 (0.42) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL1104793 0.83 ERN1 (0.39) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL12031844 0.79 PIM1 (0.34) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL13957009 0.78 ENPP1 (0.36) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL12031824 0.78 IDO1 (0.39) CYP1A2ENPP3ENPP1
SCHEMBL13697078 0.76 ENPP1 (0.45) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL13250981 0.76 GSTP1 (0.39) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL13251098 0.76 GSTP1 (0.39) CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9082995-B2 Organic EL element and organic EL material-containing solution IDEMITSU KOSAN CO., LTD. (JP) 2015-07-14 US disclosed
US-9082995-B2 Organic EL element and organic EL material-containing solution IDEMITSU KOSAN CO., LTD. (JP) 2015-07-14 US disclosed
US-8436343-B2 Organic EL device IDEMITSU KOSAN CO., LTD. (JP) 2013-05-07 US disclosed
US-8436343-B2 Organic EL device IDEMITSU KOSAN CO., LTD. (JP) 2013-05-07 US disclosed
US-8294142-B2 Organic EL device IDEMITSU KOSAN CO., LTD. (JP) 2012-10-23 US disclosed
US-20110309337-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2011-12-22 US disclosed
US-20100270539-A1 ORGANIC EL ELEMENT AND ORGANIC EL MATERIAL-CONTAINING SOLUTION IDEMITSU KOSAN CO., LTD. (JP) 2010-10-28 US disclosed
US-20100187517-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-07-29 US disclosed
US-20100171109-A1 ORGANIC EL DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2010-07-08 US disclosed
US-7666524-B2 Oligonaphthalene derivatives, and light-emitting element and light-emitting device using oligonaphthalene derivatives SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2010-02-23 US disclosed