SCHEMBL10427848

SCHEMBL10427848

CCOCO[C@]1(C(=O)CO)C(C)C[C@H]2[C@@H]3CC(C)C4=CC(=O)C=C[C@]4(C)[C@H]3C(O)C[C@@]21C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.61
▸ CYP3A4 P08684 7/20 0.61
▸ PGR P06401 7/20 0.61
▸ HIF1A Q16665 4/20 0.61
▸ ABCB11 O95342 4/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ NR1I2 O75469 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ ABCC4 O15439 1/20 0.61
▸ PDE4D Q08499 1/20 0.61
▸ AR P10275 3/20 0.57
▸ F2 P00734 1/20 0.53
▸ LMNA P02545 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ CNR1 P21554 2/20 0.47
▸ USP2 O75604 2/20 0.42

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
SCHEMBL10427756 1.00 NR3C1 (0.61) NR3C1CYP3A4PGRHIF1AABCB11
SCHEMBL10427878 0.92 NR3C1 (0.62) NR3C1CYP3A4PGRHIF1AABCB11
SCHEMBL10427875 0.92 NR3C1 (0.62) NR3C1CYP3A4PGRHIF1AABCB11
SCHEMBL10427758 0.91 PGR (0.64) NR3C1CYP3A4PGRHIF1AABCB11
SCHEMBL10427788 0.91 PGR (0.64) NR3C1CYP3A4PGRHIF1AABCB11
SCHEMBL7596820 0.87 PGR (0.61) NR3C1CYP3A4PGRHIF1AABCB11
SCHEMBL10625960 0.87 PGR (0.56) NR3C1CYP3A4PGRHIF1AABCB11
SCHEMBL10625977 0.87 PGR (0.56) NR3C1CYP3A4PGRHIF1AABCB11
SCHEMBL6859039 0.85 CYP3A4 (0.61) NR3C1CYP3A4PGRHIF1AABCB11
SCHEMBL6859043 0.85 CYP3A4 (0.61) NR3C1CYP3A4PGRHIF1AABCB11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0100874-B1 6,16-DIMETHYL CORTICOIDS, THEIR PREPARATION AND THEIR USE SCHERING AKTIENGESELLSCHAFT (DE) 1990-03-07 — — EP claimed
US-4701451-A Novel 6,16-dimethylcorticoids their preparation and use SCHERING AKTIENGESELLSCHAFT (DE) 1987-10-20 — — US claimed
EP-0100874-A2 6,16-Dimethyl corticoids, their preparation and their use SCHERING AKTIENGESELLSCHAFT (DE) 1984-02-22 — — EP claimed
US-4555507-A Novel 6, 16-dimethylcorticoids, their preparation and use SCHERING AKTIENGESELLSCHAFT (DE) 1985-11-26 — — US disclosed
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