SCHEMBL11118121

SCHEMBL11118121

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

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.83
HIF1A Q16665 8/20 0.83
AR P10275 7/20 0.83
CYP3A4 P08684 7/20 0.83
ADORA3 P0DMS8 4/20 0.83
NR1I2 O75469 2/20 0.50
HTR2B P41595 1/20 0.50
NR3C1 P04150 5/20 0.46
ABCB11 O95342 4/20 0.46
CHRM1 P11229 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
USP2 O75604 2/20 0.38
CNR1 P21554 1/20 0.38
TBXA2R P21731 1/20 0.38
NFKB1 P19838 1/20 0.37

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
SCHEMBL11315922 1.00 PGR (0.83) PGRHIF1AARCYP3A4ADORA3
SCHEMBL11327078 0.91 HIF1A (0.69) PGRHIF1AARCYP3A4ADORA3
SCHEMBL11119952 0.91 HIF1A (0.69) PGRHIF1AARCYP3A4ADORA3
SCHEMBL11119948 0.91 HIF1A (0.69) PGRHIF1AARCYP3A4ADORA3
Clocortolone Pivalate SCHEMBL5120 0.91 PGR (1.00) PGRHIF1AARCYP3A4ADORA3
Clocortolone Pivalate SCHEMBL32668843 0.91 PGR (1.00) PGRHIF1AARCYP3A4ADORA3
Clocortolone Pivalate SCHEMBL10052573 0.91 PGR (1.00) PGRHIF1AARCYP3A4ADORA3
Clocortolone Pivalate SCHEMBL6834795 0.91 PGR (1.00) PGRHIF1AARCYP3A4ADORA3
Clocortolone Pivalate SCHEMBL13423591 0.91 PGR (1.00) PGRHIF1AARCYP3A4ADORA3
SCHEMBL11316880 0.89 PGR (0.66) PGRHIF1AARCYP3A4ADORA3

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 6 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
EP-0019763-A1 Corticoids, their preparation and utilization SCHERING AKTIENGESELLSCHAFT (DE) 1980-12-10 EP claimed
EP-0019763-B1 CORTICOIDS, THEIR PREPARATION AND UTILIZATION SCHERING AKTIENGESELLSCHAFT (DE) 1984-08-01 EP disclosed
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