SCHEMBL3764090

SCHEMBL3764090

CC(=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 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.62
NR3C1 P04150 6/20 0.62
LMNA P02545 5/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP3A4 P08684 8/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP2C9 P11712 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
PGR P06401 6/20 0.47
NR1I2 O75469 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
SHBG P04278 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
SERPINA6 P08185 2/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL3764086 1.00 HIF1A (0.62) HIF1ANR3C1LMNAMEN1KMT2A
SCHEMBL536709 0.91 NR3C1 (0.52) HIF1ANR3C1LMNAMEN1KMT2A
SCHEMBL5180250 0.89 HSD17B10 (0.57) HIF1ANR3C1LMNAMEN1KMT2A
SCHEMBL6565563 0.89 HSD17B10 (0.57) HIF1ANR3C1LMNAMEN1KMT2A
SCHEMBL3700732 0.89 HSD17B10 (0.57) HIF1ANR3C1LMNAMEN1KMT2A
SCHEMBL6564780 0.86 PGR (0.60) HIF1ANR3C1LMNAMEN1KMT2A
SCHEMBL6564776 0.86 PGR (0.60) HIF1ANR3C1LMNAMEN1KMT2A
SCHEMBL6566615 0.83 NR3C1 (0.65) HIF1ANR3C1LMNAMEN1KMT2A
SCHEMBL6563713 0.83 NR3C1 (0.65) HIF1ANR3C1LMNAMEN1KMT2A
SCHEMBL6566622 0.83 NR3C1 (0.65) HIF1ANR3C1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2010122096-A1 PROCESS FOR OBTAINING FLUOROMETHOLONE AND INTERMEDIATES THEREFOR CRYSTAL PHARMA, S.L.U. (ES) 2010-10-28 WO disclosed
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