SCHEMBL5447002

SCHEMBL5447002

CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CC)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.63
TDP1 Q9NUW8 3/20 0.63
MEN1 O00255 2/20 0.63
MAPT P10636 2/20 0.63
THRB P10828 2/20 0.63
MAPK1 P28482 2/20 0.63
KMT2A Q03164 2/20 0.63
APEX1 P27695 2/20 0.63
USP2 O75604 1/20 0.63
LMNA P02545 1/20 0.63
CYP1A2 P05177 1/20 0.63
POLB P06746 1/20 0.63
CYP2D6 P10635 1/20 0.63
HSPD1 P10809 1/20 0.63
CYP2C9 P11712 1/20 0.63
HPGD P15428 1/20 0.63
ALOX15 P16050 1/20 0.63
NFKB1 P19838 1/20 0.63
CYP2C19 P33261 1/20 0.63
RECQL P46063 1/20 0.63

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
SCHEMBL9609762 1.00 HSD17B10 (0.63) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL314687 1.00 HSD17B10 (0.63) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL6413992 1.00 HSD17B10 (0.63) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL1603375 0.99 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL1603809 0.99 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL1602877 0.99 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL1603399 0.99 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL21051915 0.99 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL1603405 0.99 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL1603442 0.99 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB

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-20070141490-A1 Imaging member U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL AGENT 2007-06-21 US claimed