SCHEMBL10901075

SCHEMBL10901075

CCCC(=O)O[C@]1(C(=O)COC(=O)CC)CC[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 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.65
PGR P06401 8/20 0.63
CYP3A4 P08684 5/20 0.63
AR P10275 2/20 0.63
F2 P00734 1/20 0.63
HIF1A Q16665 7/20 0.62
LMNA P02545 4/20 0.62
USP2 O75604 3/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2D6 P10635 1/20 0.62
ABCB11 O95342 3/20 0.59
ALDH1A1 P00352 2/20 0.59
NR1I2 O75469 2/20 0.59
HSD17B10 Q99714 1/20 0.59
ABCC4 O15439 1/20 0.59
PDE4D Q08499 1/20 0.59
NPSR1 Q6W5P4 1/20 0.53
CHRM1 P11229 1/20 0.49
NR3C2 P08235 1/20 0.49
KDM4E B2RXH2 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
SCHEMBL10901081 1.00 NR3C1 (0.65) NR3C1PGRCYP3A4ARF2
SCHEMBL10901349 0.97 NR3C1 (0.68) NR3C1PGRCYP3A4ARF2
SCHEMBL10901354 0.97 NR3C1 (0.68) NR3C1PGRCYP3A4ARF2
SCHEMBL11209985 0.97 NR3C1 (0.69) NR3C1PGRCYP3A4ARF2
SCHEMBL10905048 0.97 NR3C1 (0.69) NR3C1PGRCYP3A4ARF2
SCHEMBL10905047 0.97 NR3C1 (0.69) NR3C1PGRCYP3A4ARF2
SCHEMBL10905112 0.96 NR3C1 (0.65) NR3C1PGRCYP3A4ARF2
SCHEMBL10910516 0.95 PGR (0.67) NR3C1PGRCYP3A4ARF2
SCHEMBL10910515 0.95 PGR (0.67) NR3C1PGRCYP3A4ARF2
SCHEMBL10903927 0.94 NR3C1 (0.64) NR3C1PGRCYP3A4ARF2

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-0095894-A2 6 Alpha-methylprednisolone derivatives OHTA SEIYAKU KABUSHIKI KAISHA. (JP) 1983-12-07 EP claimed
US-4587236-A Novel 6α-methylprednisolone derivatives, their preparation, and their use SCHERING AKTIENGESELLSCHAFT (DE) 1986-05-06 US disclosed
US-4567172-A ANTINFLAMMATORY AGENTS, ANTIALLERGENS OHTA SEIYAKU KABUSHIKI KAISHA (JP) 1986-01-28 US disclosed
EP-0095894-A2 6 Alpha-methylprednisolone derivatives OHTA SEIYAKU KABUSHIKI KAISHA. (JP) 1983-12-07 EP disclosed