SCHEMBL10427880

SCHEMBL10427880

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.66
▸ CYP3A4 P08684 6/20 0.66
▸ AR P10275 3/20 0.66
▸ F2 P00734 1/20 0.66
▸ ABCB11 O95342 2/20 0.63
▸ NR3C1 P04150 8/20 0.54
▸ HIF1A Q16665 7/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ NR1I2 O75469 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ ABCC4 O15439 1/20 0.53
▸ PDE4D Q08499 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ USP2 O75604 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CNR1 P21554 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL10427898 1.00 PGR (0.66) PGRCYP3A4ARF2ABCB11
SCHEMBL10427788 0.92 PGR (0.64) PGRCYP3A4ARF2ABCB11
SCHEMBL10427758 0.92 PGR (0.64) PGRCYP3A4ARF2ABCB11
SCHEMBL10803758 0.90 PGR (0.70) PGRCYP3A4ARF2ABCB11
SCHEMBL10427903 0.90 PGR (0.70) PGRCYP3A4ARF2ABCB11
SCHEMBL10427878 0.90 NR3C1 (0.62) PGRCYP3A4ARF2ABCB11
SCHEMBL10625960 0.90 PGR (0.56) PGRCYP3A4ARF2ABCB11
SCHEMBL10427875 0.90 NR3C1 (0.62) PGRCYP3A4ARF2ABCB11
SCHEMBL10625977 0.90 PGR (0.56) PGRCYP3A4ARF2ABCB11
SCHEMBL10427859 0.87 PGR (0.66) PGRCYP3A4ARF2ABCB11

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
US-4701451-A Novel 6,16-dimethylcorticoids their preparation and use SCHERING AKTIENGESELLSCHAFT (DE) 1987-10-20 — — US disclosed
US-4555507-A Novel 6, 16-dimethylcorticoids, their preparation and use SCHERING AKTIENGESELLSCHAFT (DE) 1985-11-26 — — US disclosed
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