SCHEMBL6466708

SCHEMBL6466708

C/C=C1\CC[C@@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.72
HSD17B1 P14061 3/20 0.72
MAPT P10636 2/20 0.72
RECQL P46063 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
ESR1 P03372 5/20 0.67
HSD17B10 Q99714 2/20 0.61
STS P08842 6/20 0.59
ABCC4 O15439 1/20 0.58
CYP2C9 P11712 1/20 0.58
ABCC1 P33527 1/20 0.58
SLCO1B1 Q9Y6L6 1/20 0.58
CYP3A4 P08684 4/20 0.57
CYP1A2 P05177 2/20 0.57
HIF1A Q16665 2/20 0.57
PGR P06401 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
CYP2C19 P33261 1/20 0.57
NR3C1 P04150 1/20 0.57

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
SCHEMBL544802 1.00 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL544801 1.00 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL5679557 1.00 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL12473458 1.00 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL16140032 1.00 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9643150 0.90 LMNA (0.71) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL9643950 0.90 LMNA (0.71) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11753160 0.88 LMNA (0.71) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11753152 0.88 LMNA (0.71) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL17817040 0.86 ESR1 (0.66) 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