SCHEMBL9623653

SCHEMBL9623653

C[C@]12CCC(=O)C=C1[C@@H](F)C[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.42
AR P10275 5/20 0.42
PGR P06401 4/20 0.42
NR3C2 P08235 1/20 0.42
CYP19A1 P11511 7/20 0.42
LMNA P02545 3/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 2/20 0.35
ESR1 P03372 2/20 0.35
SHBG P04278 2/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCB11 O95342 3/20 0.34
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ADRA2A P08913 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL9624281 0.89 NR3C1 (0.43) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL8940232 0.82 NR3C1 (0.60) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL9623805 0.82 NR3C1 (0.60) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL11314335 0.80 NR3C1 (0.56) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL11699208 0.80 NR3C1 (0.56) NR3C1ARPGRCYP19A1LMNA
SCHEMBL11699198 0.80 NR3C1 (0.56) NR3C1ARPGRCYP19A1LMNA
SCHEMBL11699233 0.80 NR3C1 (0.49) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL11699239 0.80 NR3C1 (0.49) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL9623073 0.80 NR3C1 (0.39) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL9623817 0.79 NR3C1 (0.42) NR3C1ARPGRNR3C2CYP19A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268400-B1 STEROIDAL 17ALPHA-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGESTERONES THE UPJOHN COMPANY (US) 1992-04-29 EP claimed