SCHEMBL10902829

SCHEMBL10902829

CCC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[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 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.69
CYP3A4 P08684 5/20 0.69
AR P10275 3/20 0.69
F2 P00734 1/20 0.69
NR3C1 P04150 6/20 0.65
HIF1A Q16665 7/20 0.64
LMNA P02545 4/20 0.64
USP2 O75604 3/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2D6 P10635 1/20 0.64
ABCB11 O95342 3/20 0.60
ALDH1A1 P00352 2/20 0.60
NR1I2 O75469 2/20 0.60
HSD17B10 Q99714 1/20 0.60
ABCC4 O15439 1/20 0.60
PDE4D Q08499 1/20 0.60
CHRM1 P11229 1/20 0.52
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL10902825 1.00 PGR (0.69) PGRCYP3A4ARF2NR3C1
SCHEMBL10910515 0.95 PGR (0.67) PGRCYP3A4ARF2NR3C1
SCHEMBL10910516 0.95 PGR (0.67) PGRCYP3A4ARF2NR3C1
Methylprednisolone Aceponate SCHEMBL3466 0.94 PGR (0.74) PGRCYP3A4ARF2NR3C1
Methylprednisolone Aceponate SCHEMBL8612416 0.94 PGR (0.74) PGRCYP3A4ARF2NR3C1
Methylprednisolone Aceponate SCHEMBL8961317 0.94 PGR (0.74) PGRCYP3A4ARF2NR3C1
SCHEMBL10906704 0.94 PGR (0.79) PGRCYP3A4ARF2NR3C1
SCHEMBL10906703 0.94 PGR (0.79) PGRCYP3A4ARF2NR3C1
SCHEMBL11126257 0.94 PGR (0.79) PGRCYP3A4ARF2NR3C1
SCHEMBL10903110 0.93 PGR (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0095894-A2 6 Alpha-methylprednisolone derivatives OHTA SEIYAKU KABUSHIKI KAISHA. (JP) 1983-12-07 EP claimed
US-4567172-A ANTINFLAMMATORY AGENTS, ANTIALLERGENS OHTA SEIYAKU KABUSHIKI KAISHA (JP) 1986-01-28 US disclosed