SCHEMBL6467449

SCHEMBL6467449

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.64
LMNA P02545 3/20 0.64
MAPT P10636 2/20 0.64
RECQL P46063 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
STS P08842 6/20 0.50
ESR1 P03372 3/20 0.49
KDM4E B2RXH2 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
ESR2 Q92731 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ABCC4 O15439 1/20 0.49
CYP2C9 P11712 1/20 0.49
ABCC1 P33527 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.46

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
SCHEMBL3102817 1.00 HSD17B1 (0.64) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL7858881 0.92 HSD17B1 (0.61) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6462755 0.88 LMNA (0.48) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6849039 0.88 LMNA (0.51) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6849035 0.88 LMNA (0.51) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL12364241 0.86 HSD17B1 (0.67) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL5024255 0.86 HSD17B1 (0.67) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL14421698 0.86 HSD17B1 (0.67) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL2244884 0.86 HSD17B1 (0.67) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6535977 0.86 HSD17B1 (0.67) HSD17B1LMNAMAPTRECQLSMN1; 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