SCHEMBL8769455

SCHEMBL8769455

CCO[C@]1(C(C)=O)[C@H]2C[C@H]2[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 0.49
AR P10275 11/20 0.49
NR3C1 P04150 4/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP3A4 P08684 4/20 0.38
ABCB11 O95342 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
ABCC4 O15439 1/20 0.38
ESR1 P03372 1/20 0.38
SHBG P04278 1/20 0.38
NR3C2 P08235 1/20 0.38
HRH2 P25021 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL8769113 0.90 PGR (0.48) PGRARNR3C1LMNAMAPT
SCHEMBL8769481 0.76 PGR (0.48) PGRARNR3C1LMNAMAPT
SCHEMBL7882963 0.75 LMNA (0.62) PGRARNR3C1LMNAMAPT
SCHEMBL9472235 0.75 LMNA (0.62) PGRARNR3C1LMNAMAPT
SCHEMBL8721585 0.75 PGR (0.54) PGRARNR3C1LMNAMAPT
SCHEMBL8724556 0.75 PGR (0.54) PGRARNR3C1LMNAMAPT
SCHEMBL13768844 0.75 PGR (0.76) PGRARNR3C1LMNAABCB11
SCHEMBL8769769 0.74 PGR (0.51) PGRARNR3C1LMNAMAPT
SCHEMBL8769005 0.74 PGR (0.51) PGRARNR3C1LMNAMAPT
SCHEMBL7887184 0.74 PGR (0.65) PGRARNR3C1LMNAMAPT

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
WO-1997027209-A1 NEW SUBSTITUTED 19-NOR-PREGNANE DERIVATIVES LABORATOIRE THERAMEX (MC) 1997-07-31 WO disclosed
EP-0785211-A1 New substituted 19-nor-pregnane derivatives LABORATOIRE THERAMEX (MC) 1997-07-23 EP disclosed