SCHEMBL10881975

SCHEMBL10881975

CCCC(=O)O[C@]1(C(=O)COC(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 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.72
CYP3A4 P08684 4/20 0.72
AR P10275 2/20 0.72
F2 P00734 1/20 0.72
NR3C1 P04150 7/20 0.63
HIF1A Q16665 7/20 0.60
LMNA P02545 3/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ABCB11 O95342 3/20 0.59
NR1I2 O75469 2/20 0.59
ALDH1A1 P00352 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ABCC4 O15439 1/20 0.59
PDE4D Q08499 1/20 0.59
USP2 O75604 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CHRM1 P11229 1/20 0.53
NR3C2 P08235 2/20 0.49
ABCC3 O15438 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
SCHEMBL10934308 1.00 PGR (0.72) PGRCYP3A4ARF2NR3C1
SCHEMBL10881968 1.00 PGR (0.72) PGRCYP3A4ARF2NR3C1
SCHEMBL10883572 0.96 PGR (0.71) PGRCYP3A4ARF2NR3C1
SCHEMBL11209985 0.95 NR3C1 (0.69) PGRCYP3A4ARF2NR3C1
SCHEMBL10905048 0.95 NR3C1 (0.69) PGRCYP3A4ARF2NR3C1
SCHEMBL10905047 0.95 NR3C1 (0.69) PGRCYP3A4ARF2NR3C1
SCHEMBL10901081 0.94 NR3C1 (0.65) PGRCYP3A4ARF2NR3C1
SCHEMBL10901075 0.94 NR3C1 (0.65) PGRCYP3A4ARF2NR3C1
Methylprednisolone Aceponate SCHEMBL8961317 0.94 PGR (0.74) PGRCYP3A4ARF2NR3C1
Methylprednisolone Aceponate SCHEMBL8612416 0.94 PGR (0.74) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0072547-B1 6-ALPHA-METHYL-PREDNISOLONE DERIVATIVES, THEIR PREPARATION AND UTILIZATION SCHERING AKTIENGESELLSCHAFT (DE) 1986-03-26 EP claimed
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