SCHEMBL6468149

SCHEMBL6468149

C=C1CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3[C@@H](CC)C[C@]12C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
HSD17B1 P14061 2/20 0.51
MAPT P10636 1/20 0.51
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP19A1 P11511 2/20 0.46
AKR1C3 P42330 2/20 0.44
HSD17B10 Q99714 2/20 0.43
ESR1 P03372 3/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
CNR1 P21554 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL6468077 0.88 LMNA (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11101794 0.88 LMNA (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6465770 0.88 LMNA (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6462853 0.80 LMNA (0.62) LMNAMAPTRECQLSMN1; SMN2HSD17B10
SCHEMBL6466088 0.79 LMNA (0.47) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6466469 0.78 LMNA (0.50) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6382586 0.78 HSD17B1 (0.60) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL7705120 0.78 LMNA (0.77) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL7705116 0.78 LMNA (0.77) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6462059 0.78 LMNA (0.77) LMNAHSD17B1MAPTRECQLSMN1; 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 2 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