SCHEMBL6564780

SCHEMBL6564780

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.60
CYP3A4 P08684 7/20 0.60
AR P10275 5/20 0.60
F2 P00734 1/20 0.60
NR3C1 P04150 7/20 0.48
HIF1A Q16665 7/20 0.48
LMNA P02545 5/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
BLM P54132 1/20 0.46
TSHR P16473 1/20 0.46
CHRM1 P11229 2/20 0.45
SERPINA6 P08185 1/20 0.45
ALDH1A1 P00352 3/20 0.45
ABCC4 O15439 2/20 0.45
ABCB11 O95342 2/20 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
SCHEMBL6564776 1.00 PGR (0.60) PGRCYP3A4ARF2NR3C1
SCHEMBL3700732 0.88 HSD17B10 (0.57) PGRCYP3A4ARF2NR3C1
SCHEMBL6565563 0.88 HSD17B10 (0.57) PGRCYP3A4ARF2NR3C1
SCHEMBL5180250 0.88 HSD17B10 (0.57) PGRCYP3A4ARF2NR3C1
SCHEMBL3764090 0.86 HIF1A (0.62) PGRCYP3A4ARF2NR3C1
SCHEMBL3764086 0.86 HIF1A (0.62) PGRCYP3A4ARF2NR3C1
SCHEMBL536709 0.84 NR3C1 (0.52) PGRCYP3A4ARF2NR3C1
SCHEMBL18351253 0.84 CYP3A4 (0.76) PGRCYP3A4ARF2NR3C1
SCHEMBL7796325 0.84 CYP3A4 (0.76) PGRCYP3A4ARF2NR3C1
SCHEMBL7796323 0.84 CYP3A4 (0.76) PGRCYP3A4ARF2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399463-A1 PROCESS TO PREPARE 11$g(b),17$g(a),21-TRIHYDROXY-6$g(a)-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE PHARMACIA & UPJOHN COMPANY (US) 2004-03-24 EP claimed
EP-1399464-A1 PROCESS TO PREPARE 11BETA, 17ALPHA, 21-TRIHYDROXY-6ALPHA-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE PHARMACIA & UPJOHN COMPANY (US) 2004-03-24 EP claimed
WO-2002102827-A1 PROCESS TO PREPARE 11β, 17α,21-TRIHYDROXY-6α-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE PHARMACIA & UPJOHN COMPANY (US) 2002-12-27 WO claimed
WO-2002102826-A1 PROCESS TO PREPARE 11β,17α,21-TRIHYDROXY-6α-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE PHARMACIA & UPJOHN COMPANY (US) 2002-12-27 WO claimed
EP-1399463-A1 PROCESS TO PREPARE 11$g(b),17$g(a),21-TRIHYDROXY-6$g(a)-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE PHARMACIA & UPJOHN COMPANY (US) 2004-03-24 EP disclosed
EP-1399464-A1 PROCESS TO PREPARE 11BETA, 17ALPHA, 21-TRIHYDROXY-6ALPHA-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE PHARMACIA & UPJOHN COMPANY (US) 2004-03-24 EP disclosed
WO-2002102827-A1 PROCESS TO PREPARE 11β, 17α,21-TRIHYDROXY-6α-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE PHARMACIA & UPJOHN COMPANY (US) 2002-12-27 WO disclosed
WO-2002102826-A1 PROCESS TO PREPARE 11β,17α,21-TRIHYDROXY-6α-METHYLPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE PHARMACIA & UPJOHN COMPANY (US) 2002-12-27 WO disclosed