SCHEMBL2738507

SCHEMBL2738507

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.64
▸ HSD17B1 P14061 2/20 0.64
▸ MAPT P10636 1/20 0.64
▸ RECQL P46063 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.54
▸ ESR1 P03372 4/20 0.52
▸ STS P08842 4/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ ABCC1 P33527 1/20 0.52
▸ SLCO1B1 Q9Y6L6 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP3A4 P08684 3/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ NR3C1 P04150 1/20 0.51
▸ PGR P06401 1/20 0.51

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
SCHEMBL219285 1.00 LMNA (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL10269454 1.00 LMNA (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8370295 0.91 LMNA (0.65) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738512 0.90 LMNA (0.59) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL219557 0.90 LMNA (0.59) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL220122 0.90 LMNA (0.64) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL219118 0.89 LMNA (0.58) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL218765 0.89 LMNA (0.60) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL218764 0.89 LMNA (0.60) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL2738546 0.89 LMNA (0.60) 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
EP-1685150-B1 NOVEL 17beta HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS SOLVAY PHARM GMBH (DE) 2008-09-03 — — EP disclosed
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