SCHEMBL11570202

SCHEMBL11570202

CCC(=O)O[C@]1(C(=S)OCc2ccccc2)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.71
▸ AR P10275 5/20 0.71
▸ ADORA3 P0DMS8 3/20 0.71
▸ CHRM1 P11229 1/20 0.71
▸ ADRA1A P35348 1/20 0.71
▸ NR3C1 P04150 13/20 0.70
▸ CYP3A4 P08684 4/20 0.70
▸ NR3C2 P08235 2/20 0.70
▸ NR1I2 O75469 2/20 0.70
▸ HIF1A Q16665 4/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CNR1 P21554 1/20 0.60
▸ PTGS1 P23219 1/20 0.60
▸ MAPT P10636 2/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ DRD2 P14416 1/20 0.55
▸ OPRD1 P41143 1/20 0.55

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
SCHEMBL6253096 0.90 PGR (0.76) PGRARADORA3CHRM1ADRA1A
SCHEMBL4228192 0.90 NR3C1 (0.77) PGRARADORA3CHRM1ADRA1A
SCHEMBL11357530 0.90 PGR (0.73) PGRARADORA3CHRM1ADRA1A
SCHEMBL5535751 0.90 PGR (0.82) PGRARADORA3CHRM1ADRA1A
SCHEMBL2181440 0.90 PGR (0.82) PGRARADORA3CHRM1ADRA1A
SCHEMBL192155 0.90 PGR (0.82) PGRARADORA3CHRM1ADRA1A
SCHEMBL17748176 0.90 PGR (0.82) PGRARADORA3CHRM1ADRA1A
SCHEMBL2554938 0.90 PGR (0.82) PGRARADORA3CHRM1ADRA1A
SCHEMBL6842246 0.90 PGR (0.82) PGRARADORA3CHRM1ADRA1A
SCHEMBL7901488 0.90 PGR (0.82) PGRARADORA3CHRM1ADRA1A

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-0004741-A2 Thio etianic acid derivatives, their preparation and pharmaceutical use SYNTEX (U.S.A.) INC. (US) 1979-10-17 — — EP disclosed
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