SCHEMBL6468136

SCHEMBL6468136

COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](CO)CC[C@H]12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.74
HSD17B10 Q99714 2/20 0.74
ESR1 P03372 4/20 0.67
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HSD17B1 P14061 2/20 0.60
RECQL P46063 1/20 0.60
PGR P06401 2/20 0.58
SLC6A3 Q01959 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP3A4 P08684 2/20 0.58
ABCC4 O15439 2/20 0.58
CYP1A2 P05177 1/20 0.58
HIF1A Q16665 1/20 0.58
ABCC1 P33527 1/20 0.58
NR3C1 P04150 1/20 0.58
CNR1 P21554 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
ADORA3 P0DMS8 1/20 0.58

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
SCHEMBL6462167 1.00 LMNA (0.74) LMNAHSD17B10ESR1MAPTSMN1; SMN2
SCHEMBL7054356 0.90 LMNA (0.72) LMNAHSD17B10ESR1MAPTSMN1; SMN2
SCHEMBL4995702 0.90 LMNA (0.72) LMNAHSD17B10ESR1MAPTSMN1; SMN2
SCHEMBL7054352 0.90 LMNA (0.72) LMNAHSD17B10ESR1MAPTSMN1; SMN2
SCHEMBL15308955 0.90 LMNA (0.72) LMNAHSD17B10ESR1MAPTSMN1; SMN2
SCHEMBL7612623 0.86 LMNA (0.70) LMNAHSD17B10ESR1MAPTSMN1; SMN2
SCHEMBL7076832 0.86 LMNA (0.67) LMNAHSD17B10ESR1MAPTSMN1; SMN2
Estradiol Methyl Ether SCHEMBL23645792 0.85 HSD17B10 (1.00) LMNAHSD17B10ESR1MAPTSMN1; SMN2
Estradiol Methyl Ether SCHEMBL547265 0.85 HSD17B10 (1.00) LMNAHSD17B10ESR1MAPTSMN1; SMN2
Estradiol Methyl Ether SCHEMBL18686406 0.85 HSD17B10 (1.00) LMNAHSD17B10ESR1MAPTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881728-B1 14-β, 17-α-hydroxymethylandrostane derivatives as androgens AKZO NOBEL N.V. (NL) 2005-04-19 US disclosed
EP-1163259-B1 14.BETA.,17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS AKZO NOBEL NV (NL) 2002-11-20 EP disclosed
EP-1163259-A1 14.BETA.,17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS Akzo Nobel N.V. (NL) 2001-12-19 EP disclosed
WO-2000053619-A1 14.BETA., 17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS AKZO NOBEL N.V. (NL) 2000-09-14 WO disclosed