SCHEMBL8903154

SCHEMBL8903154

COc1c(C)cc(C(=O)O)c(O[SiH](C)C)c1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
NOTUM Q6P988 2/20 0.33
RXRB P28702 1/20 0.33
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.32
GPR35 Q9HC97 1/20 0.32
TNFRSF1A P19438 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
POLB P06746 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
GAA P10253 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
NEK2 P51955 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL8902891 0.86 MEN1 (0.31) HSD17B10MEN1KMT2A
SCHEMBL7520417 0.75 TDP1 (0.46) HSD17B10KDM4EALDH1A1HPGDMAPT
SCHEMBL7786427 0.73 RXRB (0.49) HSD17B10NOTUMRXRBKDM4EALDH1A1
SCHEMBL1434189 0.72 HSD17B10 (0.52) HSD17B10NOTUMKDM4EALDH1A1HPGD
SCHEMBL9187455 0.72 RXRB (0.47) HSD17B10NOTUMRXRBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7945358 0.72 TDP1 (0.44) HSD17B10NOTUMRXRBKDM4EMAPT
SCHEMBL10920134 0.71 KDM4E (0.55) HSD17B10NOTUMKDM4EALDH1A1HPGD
SCHEMBL4339765 0.71 ALDH1A1 (0.36) HSD17B10NOTUMKDM4EALDH1A1TDP1
SCHEMBL9191019 0.70 KDM4E (0.53) HSD17B10NOTUMKDM4EALDH1A1HPGD
SCHEMBL27481246 0.70 HSD17B10 (0.49) HSD17B10KDM4EALDH1A1HPGDMAPT

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-5607625-A TEST KITS CONTAINING THE DIOXETANES ABBOTT LABORATORIES (US) 1997-03-04 US disclosed