SCHEMBL6462755

SCHEMBL6462755

C=C1CC[C@@H]2[C@@H]3[C@H](CC)Cc4cc(OC)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
HSD17B1 P14061 2/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 5/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
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
SLC6A4 P31645 1/20 0.40
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38

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
SCHEMBL6467449 0.88 HSD17B1 (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL3102817 0.88 HSD17B1 (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6466520 0.86 LMNA (0.51) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6849035 0.81 LMNA (0.51) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6849039 0.81 LMNA (0.51) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL7858881 0.81 HSD17B1 (0.61) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6840976 0.80 LMNA (0.62) LMNAMAPTRECQLSMN1; SMN2HSD17B10
SCHEMBL6462441 0.80 LMNA (0.62) LMNAMAPTRECQLSMN1; SMN2HSD17B10
SCHEMBL5973339 0.80 LMNA (0.45) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6851933 0.79 LMNA (0.48) 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 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