SCHEMBL6464944

SCHEMBL6464944

C=C1C(C)C[C@H]2[C@@H]3[C@H](C)Cc4cc(OC)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
HSD17B1 P14061 2/20 0.44
MAPT P10636 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
ESR1 P03372 4/20 0.42
HSD17B10 Q99714 1/20 0.41
STS P08842 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
CNR1 P21554 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CNR2 P34972 1/20 0.37

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
SCHEMBL6461945 1.00 LMNA (0.44) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL7887224 1.00 LMNA (0.44) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6466887 1.00 LMNA (0.44) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL5028348 0.87 LMNA (0.49) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL5024817 0.87 LMNA (0.49) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6466520 0.84 LMNA (0.51) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6462744 0.81 LMNA (0.44) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL14421698 0.79 HSD17B1 (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL12364241 0.79 HSD17B1 (0.67) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6535977 0.79 HSD17B1 (0.67) 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 1 patent. 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