SCHEMBL9799160

SCHEMBL9799160

C=C(c1nnnn1COCCOC)C(O)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 3/20 0.33
MAPK14 Q16539 2/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
EGFR P00533 1/20 0.30
GAA P10253 2/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SLC1A2 P43004 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
SCHEMBL9799071 0.78 MAPK14 (0.35) HSD17B10ALDH1A1MAPK14HPGDMAPT
SCHEMBL9726605 0.74 HSD17B10 (0.43) USP2HSD17B10ALDH1A1MAPK14HPGD
SCHEMBL10425983 0.74 HMGCR (0.39) ALDH1A1LMNASLC1A2
SCHEMBL10612114 0.74 HSD17B10 (0.41) USP2HSD17B10ALDH1A1MAPK14HPGD
SCHEMBL10612118 0.74 HSD17B10 (0.41) USP2HSD17B10ALDH1A1MAPK14HPGD
SCHEMBL9799165 0.73 USP2 (0.38) USP2HSD17B10ALDH1A1MAPK14HPGD
SCHEMBL10612928 0.72 USP2 (0.39) USP2HSD17B10ALDH1A1MAPK14HPGD
SCHEMBL9726787 0.72 HSD17B10 (0.43) USP2HSD17B10ALDH1A1MAPK14HPGD
SCHEMBL9726502 0.70 HSD17B10 (0.43) USP2HSD17B10ALDH1A1MAPK14HPGD
SCHEMBL9726834 0.70 HSD17B10 (0.41) USP2HSD17B10ALDH1A1MAPK14HPGD

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-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US disclosed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO disclosed