SCHEMBL11680892

SCHEMBL11680892

CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)C(Cl)Br)O1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.75
▸ NR3C1 P04150 8/20 0.75
▸ CYP3A4 P08684 5/20 0.75
▸ ABCB11 O95342 4/20 0.75
▸ LMNA P02545 4/20 0.75
▸ HSD17B10 Q99714 3/20 0.75
▸ KDM4E B2RXH2 2/20 0.75
▸ ADRA1A P35348 2/20 0.75
▸ CYP2C19 P33261 1/20 0.75
▸ HTR1A P08908 1/20 0.75
▸ ADRA2A P08913 1/20 0.75
▸ AR P10275 6/20 0.53
▸ HIF1A Q16665 5/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MAPT P10636 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.45
▸ MEN1 O00255 1/20 0.45

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
SCHEMBL11682785 0.94 PGR (0.78) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL11681182 0.94 PGR (0.78) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL11683876 0.94 PGR (0.78) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL11681125 0.94 PGR (0.78) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL11684827 0.94 PGR (0.78) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL11682152 0.91 PGR (0.79) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL11346249 0.88 PGR (0.82) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL11685819 0.87 PGR (0.66) PGRNR3C1CYP3A4ABCB11LMNA
Flunisolide SCHEMBL8810954 0.86 CYP3A4 (1.00) PGRNR3C1CYP3A4ABCB11LMNA
Flunisolide SCHEMBL4351 0.86 CYP3A4 (1.00) PGRNR3C1CYP3A4ABCB11LMNA

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-4065452-A TOPICAL ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1977-12-27 — — US disclosed
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