SCHEMBL2738573

SCHEMBL2738573

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
HSD17B1 P14061 2/20 0.52
MAPT P10636 1/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.47
HRH3 Q9Y5N1 11/20 0.47
KCNH2 Q12809 2/20 0.47
ESR1 P03372 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL219814 1.00 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL219815 1.00 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738571 0.90 LMNA (0.51) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL216521 0.90 LMNA (0.51) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL216522 0.90 LMNA (0.51) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL253498 0.89 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738570 0.89 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL253497 0.89 LMNA (0.52) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL219694 0.88 LMNA (0.57) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL218604 0.88 LMNA (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 US disclosed
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 US disclosed