SCHEMBL8048890

SCHEMBL8048890

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
HSD17B10 Q99714 4/20 0.56
ESR1 P03372 5/20 0.53
ESR2 Q92731 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.43
ADORA3 P0DMS8 2/20 0.43
ATM Q13315 2/20 0.43
ABCC1 P33527 1/20 0.43
ABCC4 O15439 1/20 0.43
PGR P06401 1/20 0.43
AR P10275 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM1A O60341 1/20 0.43
STS P08842 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 3/20 0.40

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
SCHEMBL8048425 1.00 LMNA (0.56) LMNAHSD17B10ESR1ESR2SMN1; SMN2
SCHEMBL1688726 0.87 ESR1 (0.59) LMNAHSD17B10ESR1ESR2SMN1; SMN2
SCHEMBL8038305 0.84 ESR1 (0.71) LMNAHSD17B10ESR1ESR2SMN1; SMN2
SCHEMBL19236350 0.84 ESR1 (0.71) LMNAHSD17B10ESR1ESR2SMN1; SMN2
SCHEMBL8667705 0.84 ESR1 (0.71) LMNAHSD17B10ESR1ESR2SMN1; SMN2
SCHEMBL8038391 0.84 ESR1 (0.71) LMNAHSD17B10ESR1ESR2SMN1; SMN2
SCHEMBL8055650 0.83 LMNA (0.43) LMNAHSD17B10ESR1ESR2SMN1; SMN2
SCHEMBL8049873 0.82 PPARD (0.42) LMNAHSD17B10ESR1ESR2SMN1; SMN2
SCHEMBL8049867 0.82 PPARD (0.42) LMNAHSD17B10ESR1ESR2SMN1; SMN2
SCHEMBL8048882 0.82 PPARD (0.42) LMNAHSD17B10ESR1ESR2SMN1; 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
EP-0882735-B1 9 Alpha-hydroxy-8 alpha-estra-1,3,5(10)-trienes and a process for their preparation JENAPHARM GMBH (DE) 2000-04-19 EP disclosed
EP-0882735-A1 9 Alpha-hydroxy-8 alpha-estra-1,3,5(10)-trienes and a process for their preparation Jenapharm GmbH & Co. KG (DE) 1998-12-09 EP disclosed