SCHEMBL1509625

SCHEMBL1509625

C[C@]12CC[C@@H]3c4c(cc(O)cc4OO)CC[C@H]3[C@@H]1CC[C@H]2O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.63
LMNA P02545 5/20 0.63
ESR1 P03372 4/20 0.63
ESR2 Q92731 3/20 0.63
TSHR P16473 3/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
MAPT P10636 3/20 0.63
CYP1A2 P05177 3/20 0.63
CYP3A4 P08684 3/20 0.63
CYP1B1 Q16678 3/20 0.63
SHBG P04278 3/20 0.63
CYP2C19 P33261 2/20 0.63
BLM P54132 2/20 0.63
PMP22 Q01453 2/20 0.63
CYP2C9 P11712 1/20 0.63
HIF1A Q16665 1/20 0.63
SLC22A1 O15245 1/20 0.63
AKR1B10 O60218 1/20 0.63
SLC22A3 O75751 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
SCHEMBL980770 0.92 HSD17B10 (0.64) HSD17B10LMNAESR1ESR2TSHR
SCHEMBL547773 0.91 HSD17B10 (0.66) HSD17B10LMNAESR1ESR2TSHR
SCHEMBL8459399 0.91 HSD17B10 (0.66) HSD17B10LMNAESR1ESR2TSHR
SCHEMBL7621594 0.89 HSD17B10 (0.60) HSD17B10LMNAESR1ESR2TSHR
SCHEMBL10711260 0.87 HSD17B10 (0.58) HSD17B10LMNAESR1ESR2TSHR
SCHEMBL29027144 0.87 LMNA (0.61) HSD17B10LMNAESR1ESR2TSHR
SCHEMBL27462283 0.87 ESR1 (0.58) HSD17B10LMNAESR1ESR2TSHR
SCHEMBL301391 0.87 LMNA (0.61) HSD17B10LMNAESR1ESR2TSHR
SCHEMBL16369629 0.87 HSD17B10 (0.58) HSD17B10LMNAESR1ESR2TSHR
SCHEMBL27597807 0.87 HSD17B10 (0.58) HSD17B10LMNAESR1ESR2TSHR

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-2295041-A2 HRT formulations Novo Nordisk Femcare AG (CH) 2011-03-16 EP disclosed