SCHEMBL11680073

SCHEMBL11680073

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.65
▸ PGR P06401 7/20 0.65
▸ NR3C1 P04150 6/20 0.65
▸ ABCB11 O95342 5/20 0.65
▸ LMNA P02545 4/20 0.65
▸ HSD17B10 Q99714 4/20 0.65
▸ KDM4E B2RXH2 2/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ HTR1A P08908 1/20 0.65
▸ ADRA2A P08913 1/20 0.65
▸ ADRA1A P35348 1/20 0.65
▸ HIF1A Q16665 7/20 0.46
▸ AR P10275 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ ABCC4 O15439 2/20 0.41
▸ ABCC3 O15438 1/20 0.41

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
SCHEMBL11682401 0.95 CYP3A4 (0.65) CYP3A4PGRNR3C1ABCB11LMNA
SCHEMBL11685819 0.94 PGR (0.66) CYP3A4PGRNR3C1ABCB11LMNA
SCHEMBL11685946 0.92 CYP3A4 (0.64) CYP3A4PGRNR3C1ABCB11LMNA
SCHEMBL11682152 0.91 PGR (0.79) CYP3A4PGRNR3C1ABCB11LMNA
SCHEMBL11681125 0.87 PGR (0.78) CYP3A4PGRNR3C1ABCB11LMNA
SCHEMBL11683876 0.87 PGR (0.78) CYP3A4PGRNR3C1ABCB11LMNA
SCHEMBL11684827 0.85 PGR (0.78) CYP3A4PGRNR3C1ABCB11LMNA
SCHEMBL11682785 0.85 PGR (0.78) CYP3A4PGRNR3C1ABCB11LMNA
SCHEMBL11682409 0.84 NR3C1 (0.77) CYP3A4PGRNR3C1ABCB11LMNA
SCHEMBL11680892 0.84 PGR (0.75) CYP3A4PGRNR3C1ABCB11LMNA

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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