SCHEMBL11119952

SCHEMBL11119952

CC(=O)OCC(=O)[C@H]1C(C)C[C@H]2[C@@H]3CC(Cl)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)C(O)C[C@]12C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 11/20 0.69
PGR P06401 9/20 0.69
AR P10275 8/20 0.69
CYP3A4 P08684 5/20 0.69
ADORA3 P0DMS8 3/20 0.69
NR1I2 O75469 2/20 0.51
HTR2B P41595 1/20 0.51
NR3C1 P04150 5/20 0.47
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CHRM1 P11229 3/20 0.47
ABCB11 O95342 2/20 0.47
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.40
F2 P00734 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL11119948 1.00 HIF1A (0.69) HIF1APGRARCYP3A4ADORA3
SCHEMBL11327078 1.00 HIF1A (0.69) HIF1APGRARCYP3A4ADORA3
SCHEMBL11118121 0.91 PGR (0.83) HIF1APGRARCYP3A4ADORA3
SCHEMBL11315922 0.91 PGR (0.83) HIF1APGRARCYP3A4ADORA3
SCHEMBL11118740 0.91 PGR (0.66) HIF1APGRARCYP3A4ADORA3
SCHEMBL11123437 0.91 PGR (0.66) HIF1APGRARCYP3A4ADORA3
SCHEMBL11316880 0.91 PGR (0.66) HIF1APGRARCYP3A4ADORA3
Clocortolone Acetate SCHEMBL618722 0.90 PGR (0.84) HIF1APGRARCYP3A4ADORA3
SCHEMBL11327698 0.90 PGR (0.66) HIF1APGRARCYP3A4ADORA3
SCHEMBL11327696 0.90 PGR (0.66) HIF1APGRARCYP3A4ADORA3

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-0019763-B1 CORTICOIDS, THEIR PREPARATION AND UTILIZATION SCHERING AKTIENGESELLSCHAFT (DE) 1984-08-01 EP claimed
US-4289763-A Novel corticoids, the preparation thereof and the use thereof SCHERING AKTIENGESELLSCHAFT (DE) 1981-09-15 US claimed
US-4289763-A Novel corticoids, the preparation thereof and the use thereof SCHERING AKTIENGESELLSCHAFT (DE) 1981-09-15 US disclosed
EP-0019763-A1 Corticoids, their preparation and utilization SCHERING AKTIENGESELLSCHAFT (DE) 1980-12-10 EP disclosed