SCHEMBL15945809

SCHEMBL15945809

C[Si](C)(C)c1cc([Si](C)(C)C)c2ccc3c(-c4ccc5ccccc5c4)ccc4ccc1c2c43

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.41
CYP1A2 P05177 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
DHFR P00374 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
IKBKB O14920 1/20 0.35

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
SCHEMBL12938218 0.89 GSTP1 (0.44) GSTP1CYP1A2SMN1; SMN2CYP3A4CYP2C9
SCHEMBL12938223 0.88 GSTP1 (0.43) GSTP1CYP1A2SMN1; SMN2CYP3A4CYP2C9
SCHEMBL15945842 0.86 KDM4E (0.33) CYP1A2CYP2C9ALDH1A1HPGDDHFR
SCHEMBL10260950 0.86 GSTP1 (0.39) GSTP1CYP1A2SMN1; SMN2CYP3A4CYP2C9
SCHEMBL10260057 0.86 GSTP1 (0.39) GSTP1CYP1A2SMN1; SMN2CYP3A4CYP2C9
SCHEMBL10267621 0.86 GSTP1 (0.39) GSTP1CYP1A2SMN1; SMN2CYP3A4CYP2C9
SCHEMBL3687907 0.84 GSTP1 (0.55) GSTP1CYP1A2SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL3792915 0.84 GSTP1 (0.55) GSTP1CYP1A2SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL2789566 0.81 GSTP1 (0.52) GSTP1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL12938226 0.81 PIM1 (0.43) GSTP1CYP1A2SMN1; SMN2CYP3A4CYP2C9

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-20140225085-A1 Organoelectroluminescent Element, and Light Emission Device, Display Device, and Illumination Device in which Said Organoelectroluminescent Element is Used UDC IRELAND LIMITED (IE) 2014-08-14 US disclosed
US-20140225085-A1 Organoelectroluminescent Element, and Light Emission Device, Display Device, and Illumination Device in which Said Organoelectroluminescent Element is Used UDC IRELAND LIMITED (IE) 2014-08-14 US disclosed