SCHEMBL2738601

SCHEMBL2738601

COc1ccc2c(c1)CC[C@H]1[C@@H]3[C@H](CCC(=O)NCc4cccc(F)c4)CC(=O)[C@@]3(C)CC[C@H]21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 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
▸ HRH3 Q9Y5N1 9/20 0.45
▸ KCNH2 Q12809 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ STS P08842 1/20 0.41

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
SCHEMBL217538 0.95 LMNA (0.46) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL217537 0.95 LMNA (0.46) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL216961 0.94 LMNA (0.46) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL216960 0.94 LMNA (0.46) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL217671 0.89 LMNA (0.49) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL217670 0.89 LMNA (0.49) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738605 0.89 LMNA (0.49) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL14087550 0.89 LMNA (0.49) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL218026 0.88 LMNA (0.48) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL218027 0.88 LMNA (0.48) 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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