SCHEMBL4585529

SCHEMBL4585529

CCO[Si](OCC)(OCC)c1ccc2cc3cc4cc5ccc(C)cc5cc4cc3cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.45
CYP2A6 P11509 4/20 0.45
TDP1 Q9NUW8 1/20 0.39
NCK1 P16333 1/20 0.33
BACE1 P56817 1/20 0.33
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
RAB9A P51151 2/20 0.33
PTPN1 P18031 1/20 0.31
TSHR P16473 2/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL4349511 0.91 NQO1 (0.31)
SCHEMBL15067231 0.87 NQO1 (0.33) CYP1A2CYP2A6
SCHEMBL14267373 0.86 CYP2A6 (0.38) CYP1A2CYP2A6TDP1ALDH1A1SMN1; SMN2
SCHEMBL4584709 0.86 CYP2A6 (0.38) CYP1A2CYP2A6TDP1ALDH1A1SMN1; SMN2
SCHEMBL4585250 0.86 CYP2A6 (0.38) CYP1A2CYP2A6TDP1ALDH1A1SMN1; SMN2
SCHEMBL14267378 0.86 CYP2A6 (0.38) CYP1A2CYP2A6TDP1ALDH1A1SMN1; SMN2
SCHEMBL14437796 0.83
SCHEMBL14437797 0.83
SCHEMBL2349220 0.80 CYP2A6 (0.44) CYP1A2CYP2A6TDP1ALDH1A1KDM4E
SCHEMBL29895562 0.80 CYP2A6 (0.44) CYP1A2CYP2A6TDP1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080042129-A1 Organic Thin Film Transistor and Its Fabrication Method SHARP KABUSHIKI KAISHA (JP) 2008-02-21 US disclosed