SCHEMBL6465736

SCHEMBL6465736

COc1ccc2c(c1)C[C@@H](C)[C@H]1[C@H]3[C@@H]4C[C@@H]4C(=O)[C@@]3(C)CC[C@H]21

nearest known ligand 0.48

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
ESR1 P03372 4/20 0.42
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
CNR1 P21554 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
STS P08842 5/20 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
SCHEMBL6465738 1.00 LMNA (0.48) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6462748 0.84 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6569575 0.84 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL5024817 0.82 LMNA (0.49) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL5028348 0.82 LMNA (0.49) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6464943 0.81 LMNA (0.65) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6464942 0.81 LMNA (0.65) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL7887971 0.81 LMNA (0.65) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL6462744 0.80 LMNA (0.44) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL14421698 0.78 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 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