SCHEMBL9623832

SCHEMBL9623832

CC1CC2C(=CC[C@@]3(C)C2CC[C@]3(O)[C@H](Cl)[Si](C)(C)OC#N)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.39
CYP19A1 P11511 6/20 0.35
LMNA P02545 3/20 0.35
HIF1A Q16665 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
SHBG P04278 2/20 0.34
AR P10275 4/20 0.33
CYP3A4 P08684 3/20 0.33
PGR P06401 3/20 0.33
NR3C2 P08235 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
ESR1 P03372 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
HRH2 P25021 1/20 0.33

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
SCHEMBL9623540 1.00 NR3C1 (0.39) NR3C1CYP19A1LMNAHIF1AMEN1
SCHEMBL9623073 0.91 NR3C1 (0.39) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL9623172 0.86 NR3C1 (0.53) NR3C1CYP19A1SHBGARPGR
SCHEMBL9241562 0.86 NR3C1 (0.53) NR3C1CYP19A1SHBGARPGR
SCHEMBL9623677 0.85 NFKB1 (0.37) NR3C1CYP19A1LMNAHIF1AAR
SCHEMBL9623135 0.84 CYP17A1 (0.40) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL9623473 0.80 CYP19A1 (0.37) NR3C1CYP19A1LMNAHIF1AMEN1
SCHEMBL9624281 0.79 NR3C1 (0.43) NR3C1CYP19A1LMNAHIF1AMEN1
SCHEMBL9623638 0.77 NR3C1 (0.53) NR3C1CYP19A1SHBGARPGR
SCHEMBL9623126 0.77 NFKB1 (0.48) NR3C1CYP19A1LMNAHIF1AMEN1

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