SCHEMBL11742957

SCHEMBL11742957

CCCCC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 4/20 0.81
▸ PGR P06401 7/20 0.73
▸ AR P10275 5/20 0.73
▸ ADRA1A P35348 2/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ SLC6A3 Q01959 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ NR3C1 P04150 5/20 0.55
▸ CYP3A4 P08684 7/20 0.52
▸ LMNA P02545 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ F2 P00734 1/20 0.51
▸ HIF1A Q16665 6/20 0.46
▸ ALDH1A1 P00352 2/20 0.46

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
Paramethasone Acetate SCHEMBL9270992 0.90 ABCB11 (1.00) ABCB11PGRARADRA1AADORA3
Paramethasone Acetate SCHEMBL13929947 0.90 ABCB11 (1.00) ABCB11PGRARADRA1AADORA3
Paramethasone Acetate SCHEMBL11443533 0.90 ABCB11 (1.00) ABCB11PGRARADRA1AADORA3
Paramethasone Acetate SCHEMBL11070642 0.90 ABCB11 (1.00) ABCB11PGRARADRA1AADORA3
Paramethasone Acetate SCHEMBL7126 0.90 ABCB11 (1.00) ABCB11PGRARADRA1AADORA3
Paramethasone Acetate SCHEMBL11279748 0.90 ABCB11 (1.00) ABCB11PGRARADRA1AADORA3
Paramethasone Acetate SCHEMBL13423597 0.90 ABCB11 (1.00) ABCB11PGRARADRA1AADORA3
SCHEMBL11742966 0.89 ABCB11 (0.76) ABCB11PGRARADRA1AADORA3
Paramethasone SCHEMBL5188901 0.85 PGR (1.00) ABCB11PGRARADRA1AADORA3
Paramethasone SCHEMBL11856144 0.85 PGR (1.00) ABCB11PGRARADRA1AADORA3

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-4017615-A ESPECIALLY USEFUL FOR ANTIINFLAMMATORY TOPICAL CORTICOIDS SYNTEX CORPORATION (PM) 1977-04-12 — — US disclosed
Send feedback