SCHEMBL2738543

SCHEMBL2738543

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.59
▸ HSD17B1 P14061 2/20 0.59
▸ MAPT P10636 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ STS P08842 5/20 0.52
▸ ESR1 P03372 4/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ABCC4 O15439 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ABCC1 P33527 1/20 0.46
▸ SLCO1B1 Q9Y6L6 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ ESR2 Q92731 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
SCHEMBL220317 1.00 LMNA (0.59) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL220316 1.00 LMNA (0.59) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL219111 0.90 LMNA (0.61) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL219112 0.90 LMNA (0.61) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738548 0.87 LMNA (0.60) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8370295 0.87 LMNA (0.65) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL219637 0.86 LMNA (0.59) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL219557 0.86 LMNA (0.59) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738549 0.86 LMNA (0.59) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2760312 0.86 LMNA (0.59) 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 3 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
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 — — EP disclosed
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