SCHEMBL9681336

SCHEMBL9681336

CCc1cc(CCc2cc(CC)c(CO)[nH]c2=O)c(OC)nc1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.34
HSD17B10 Q99714 13/20 0.33
KDM4E B2RXH2 10/20 0.33
TSHR P16473 7/20 0.33
ALDH1A1 P00352 7/20 0.33
HPGD P15428 4/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 3/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 1/20 0.32
PDE10A Q9Y233 1/20 0.31
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL9846206 0.84 PDE3B (0.40) HCAR2HSD17B10KDM4ETSHRALDH1A1
SCHEMBL9681299 0.82 MAPT (0.35) HCAR2HSD17B10KDM4EALDH1A1MAPT
SCHEMBL9272505 0.78 PDE4A (0.40) KDM4ETSHRALDH1A1MAPTPOLB
SCHEMBL9681421 0.75 MAPT (0.37) HCAR2HSD17B10KDM4EALDH1A1MAPT
SCHEMBL9432058 0.72 TAAR1 (0.50) CYP1A2
SCHEMBL9846283 0.71 MAPT (0.35) HSD17B10KDM4EALDH1A1MAPTALOX15
SCHEMBL9432009 0.69 CD274 (0.38) KDM4EPDE10APOLB
SCHEMBL9846217 0.68 PDE3B (0.37) HCAR2KDM4EALDH1A1PDE3BPDE3A
SCHEMBL9432036 0.67 GAA (0.36) ALDH1A1ALOX15POLB
SCHEMBL9246249 0.67 MAPT (0.32) KDM4EPDE3BPDE3AMAPT

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
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed