SCHEMBL6565563

SCHEMBL6565563

C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)CO)[C@@]2(C)C(O)=CC(=O)C=C12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 11/20 0.57
HIF1A Q16665 6/20 0.57
CYP3A4 P08684 6/20 0.57
NR3C1 P04150 5/20 0.57
PGR P06401 4/20 0.57
ALDH1A1 P00352 3/20 0.57
ABCB11 O95342 2/20 0.57
ABCC4 O15439 1/20 0.57
NR1I2 O75469 1/20 0.57
PDE4D Q08499 1/20 0.57
LMNA P02545 4/20 0.49
SERPINA6 P08185 4/20 0.49
CYP2C19 P33261 3/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
SHBG P04278 2/20 0.49
PMP22 Q01453 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 2/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL3700732 1.00 HSD17B10 (0.57) HSD17B10HIF1ACYP3A4NR3C1PGR
SCHEMBL5180250 1.00 HSD17B10 (0.57) HSD17B10HIF1ACYP3A4NR3C1PGR
SCHEMBL29768887 0.90 KMT2A (0.53) HSD17B10HIF1ACYP3A4NR3C1PGR
SCHEMBL536709 0.89 NR3C1 (0.52) HSD17B10HIF1ACYP3A4NR3C1PGR
SCHEMBL3764090 0.89 HIF1A (0.62) HSD17B10HIF1ACYP3A4NR3C1PGR
SCHEMBL3764086 0.89 HIF1A (0.62) HSD17B10HIF1ACYP3A4NR3C1PGR
SCHEMBL6564776 0.88 PGR (0.60) HSD17B10HIF1ACYP3A4NR3C1PGR
SCHEMBL6564780 0.88 PGR (0.60) HSD17B10HIF1ACYP3A4NR3C1PGR
SCHEMBL6563200 0.84 PGR (0.56) HSD17B10HIF1ACYP3A4NR3C1PGR
SCHEMBL6563204 0.84 PGR (0.56) HSD17B10HIF1ACYP3A4NR3C1PGR

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