SCHEMBL28844953

SCHEMBL28844953

COC(=O)Cc1ccccc1C(C(C)=O)[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SLC7A5 Q01650 1/20 0.36
LPAR1 Q92633 2/20 0.36
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL13712986 0.78 LPAR1 (0.52) KDM4ESMN1; SMN2LMNATSHRL3MBTL1
SCHEMBL28147711 0.78 CYP2C19 (0.38) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL28148698 0.78 CYP2C19 (0.38) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL28724266 0.76 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL1554320 0.75 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL28370251 0.74 KMT2A (0.43) KDM4EALDH1A1MAPTTSHRL3MBTL1
SCHEMBL28088513 0.72 CYSLTR2 (0.39)
SCHEMBL11274523 0.72 L3MBTL1 (0.50) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL4309048 0.72 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL27556343 0.72 KDM4E (0.40) KDM4EMAPTLMNATSHRL3MBTL1

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
CN-106986832-A Vegfr3 inhibitor 癌症治疗合作研究中心有限公司 2017-07-28 CN disclosed