SCHEMBL7568149

SCHEMBL7568149

C[Si](C)(C)O[Si](C)(CCCn1c(-c2ccccc2-c2nccs2)nc2ccccc21)O[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
AGTR2 P50052 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 3/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PDE10A Q9Y233 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL927722 0.76 HPGD (0.39) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL928694 0.72 HTT (0.40) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL13668155 0.69 HSD17B10 (0.42) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL12116704 0.68 KDM4E (0.61) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL229426 0.68 TP53 (0.68) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL6142493 0.66 TP53 (0.65) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL5692672 0.63 PDPK1 (0.64) ALDH1A1TSHRHSD17B10RAB9A
SCHEMBL29979980 0.63 HTT (0.43) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL1020149 0.63 HTT (0.43) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL231419 0.63 KDM4E (0.64) KDM4EALDH1A1LMNAHPGDTSHR

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-20020176843-A1 Polyamide particles as anti-irritant agents L'OREAL (FR) 2002-11-28 US disclosed