SCHEMBL6466047

SCHEMBL6466047

C=C[C@@H]1Cc2cc(OC)ccc2[C@H]2CC[C@]3(C)[C@H](C=O)CC[C@@H]3[C@H]12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
HSD17B10 Q99714 1/20 0.45
ESR1 P03372 4/20 0.43
HSD17B1 P14061 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
STS P08842 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MTOR P42345 1/20 0.37
CNR2 P34972 1/20 0.36
PDE4D Q08499 1/20 0.36
MEN1 O00255 1/20 0.36
TERT O14746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL6467592 0.87 HRH3 (0.49) LMNAHSD17B10ESR1HSD17B1MAPT
SCHEMBL7885573 0.86 LMNA (0.61) LMNAHSD17B10ESR1MAPTRECQL
SCHEMBL2356424 0.86 LMNA (0.61) LMNAHSD17B10ESR1MAPTRECQL
SCHEMBL6465985 0.86 LMNA (0.61) LMNAHSD17B10ESR1MAPTRECQL
SCHEMBL6468428 0.86 LMNA (0.61) LMNAHSD17B10ESR1MAPTRECQL
SCHEMBL6465178 0.83 LMNA (0.44) LMNAHSD17B10ESR1HSD17B1MAPT
SCHEMBL6463118 0.83 LMNA (0.46) LMNAHSD17B10ESR1HSD17B1MAPT
SCHEMBL10800294 0.82 LMNA (0.61) LMNAHSD17B10ESR1MAPTRECQL
SCHEMBL5024866 0.80 HSD17B1 (0.62) LMNAHSD17B10ESR1HSD17B1MAPT
SCHEMBL6463403 0.80 HSD17B1 (0.62) LMNAHSD17B10ESR1HSD17B1MAPT

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 3 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-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