SCHEMBL8502918

SCHEMBL8502918

C[C@@H]1C[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@]2(C)[C@@]1(OC(=O)C(Cl)Cl)C(=O)OCCl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.69
▸ AR P10275 6/20 0.69
▸ ADORA3 P0DMS8 2/20 0.69
▸ CHRM1 P11229 1/20 0.69
▸ ADRA1A P35348 1/20 0.69
▸ NR3C1 P04150 12/20 0.68
▸ CYP3A4 P08684 5/20 0.68
▸ HIF1A Q16665 4/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ NR3C2 P08235 2/20 0.63
▸ NR1I2 O75469 1/20 0.63
▸ ABCB11 O95342 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ CNR1 P21554 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ MEN1 O00255 1/20 0.54
▸ ALOX15 P16050 1/20 0.54

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
SCHEMBL20589853 1.00 PGR (0.69) PGRARADORA3CHRM1ADRA1A
SCHEMBL20589855 1.00 PGR (0.69) PGRARADORA3CHRM1ADRA1A
SCHEMBL22028452 0.94 NR3C1 (0.68) PGRARADORA3CHRM1ADRA1A
SCHEMBL8503130 0.94 PGR (0.69) PGRARADORA3CHRM1ADRA1A
SCHEMBL20589864 0.92 NR3C1 (0.66) PGRARADORA3CHRM1ADRA1A
SCHEMBL20589819 0.92 NR3C1 (0.66) PGRARADORA3CHRM1ADRA1A
SCHEMBL8505977 0.92 NR3C1 (0.67) PGRARADORA3CHRM1ADRA1A
SCHEMBL20589820 0.92 NR3C1 (0.67) PGRARADORA3CHRM1ADRA1A
SCHEMBL15325054 0.91 PGR (0.83) PGRARADORA3CHRM1ADRA1A
SCHEMBL7203073 0.91 PGR (0.65) 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
US-5981517-A FOR TREATING INFLAMMATIONS OF EYES, EARS, SKINS, INTESTINES, MOUTHS, ASTHMA, AND ARTHRITIS IN ANIMALS SOFT DRUGS, INC. (US) 1999-11-09 — — US disclosed
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