SCHEMBL6468077

SCHEMBL6468077

CC[C@H]1C[C@]2(C)C(=O)CC[C@@H]2[C@@H]2CCc3cc(OC)ccc3[C@@H]12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
MAPT P10636 2/20 0.64
HSD17B1 P14061 2/20 0.64
RECQL P46063 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
AKR1C3 P42330 3/20 0.57
HSD17B10 Q99714 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
STS P08842 6/20 0.50
KDM4E B2RXH2 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
ESR1 P03372 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

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
SCHEMBL6465770 1.00 LMNA (0.64) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL11101794 1.00 LMNA (0.64) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL6382586 0.89 HSD17B1 (0.60) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL6468149 0.88 LMNA (0.51) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL11101736 0.86 HSD17B1 (0.67) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL10531128 0.85 LMNA (0.66) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL9634078 0.85 LMNA (0.66) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL5502437 0.85 HSD17B10 (0.67) LMNAMAPTHSD17B1AKR1C3HSD17B10
SCHEMBL9746964 0.85 HSD17B1 (0.66) LMNAMAPTHSD17B1RECQLSMN1; SMN2
SCHEMBL14048588 0.85 HSD17B10 (0.67) LMNAMAPTHSD17B1AKR1C3HSD17B10

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 2 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