SCHEMBL9623162

SCHEMBL9623162

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC2(C#N)O[Si](C)(C)CBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 8/20 0.54
NR3C1 P04150 5/20 0.54
PGR P06401 4/20 0.54
ALDH1A1 P00352 3/20 0.54
ADRA1A P35348 1/20 0.54
HTR2B P41595 1/20 0.54
LMNA P02545 8/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
TSHR P16473 5/20 0.52
CYP2C19 P33261 3/20 0.52
AR P10275 3/20 0.52
HIF1A Q16665 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
THRB P10828 1/20 0.52
ESR1 P03372 1/20 0.52
HSD17B10 Q99714 7/20 0.51
SERPINA6 P08185 6/20 0.51
BLM P54132 4/20 0.51
PMP22 Q01453 3/20 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
SCHEMBL9623248 0.91 SHBG (0.54) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL24476209 0.85 SHBG (0.64) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL24476232 0.85 SHBG (0.64) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL9348134 0.81 LMNA (0.62) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL9348129 0.81 LMNA (0.62) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL9348215 0.81 LMNA (0.62) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL3744063 0.77 SHBG (0.68) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL3744059 0.77 SHBG (0.68) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL9623709 0.77 ESR1 (0.37) ARESR1CYP19A1
SCHEMBL11319124 0.77 SHBG (0.71) SHBGNR3C1PGRALDH1A1ADRA1A

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