SCHEMBL11207172

SCHEMBL11207172

C[C@]12C=CC(=O)C=C1C(F)C[C@@H]1[C@@H]2C(O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCS(=O)(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.69
PGR P06401 6/20 0.65
CYP3A4 P08684 6/20 0.65
AR P10275 3/20 0.65
F2 P00734 1/20 0.65
HIF1A Q16665 7/20 0.60
LMNA P02545 2/20 0.60
ABCB11 O95342 4/20 0.58
HSD17B10 Q99714 4/20 0.58
ALDH1A1 P00352 1/20 0.58
ABCC4 O15439 1/20 0.58
NR1I2 O75469 1/20 0.58
PDE4D Q08499 1/20 0.58
KMT2A Q03164 1/20 0.50
CYP2C19 P33261 2/20 0.49
TNF P01375 1/20 0.49
IL6 P05231 1/20 0.49
SERPINA6 P08185 1/20 0.49
NR3C2 P08235 1/20 0.49
GLUL P15104 1/20 0.49

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
SCHEMBL11207168 1.00 NR3C1 (0.69) NR3C1PGRCYP3A4ARF2
SCHEMBL11207101 0.92 NR3C1 (0.82) NR3C1PGRCYP3A4ARF2
SCHEMBL11207103 0.92 NR3C1 (0.82) NR3C1PGRCYP3A4ARF2
SCHEMBL11326470 0.91 NR3C1 (0.81) NR3C1PGRCYP3A4ARF2
SCHEMBL11329966 0.91 NR3C1 (0.81) NR3C1PGRCYP3A4ARF2
SCHEMBL11329949 0.91 NR3C1 (0.81) NR3C1PGRCYP3A4ARF2
SCHEMBL3688125 0.88 PGR (0.83) NR3C1PGRCYP3A4ARF2
SCHEMBL9275838 0.88 PGR (0.83) NR3C1PGRCYP3A4ARF2
SCHEMBL11329958 0.86 NR3C1 (0.82) NR3C1PGRCYP3A4ARF2
SCHEMBL11201742 0.86 NR3C1 (0.82) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0010056-B1 CORTICOID SULFOPROPIONIC ACID ESTERS AND THEIR SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1983-08-24 EP claimed
US-4296109-A ANTISHOCK, ANTIINFLAMMATORY SCHERING, AKTIENGESELLSCHAFT (DE) 1981-10-20 US claimed
US-4296109-A ANTISHOCK, ANTIINFLAMMATORY SCHERING, AKTIENGESELLSCHAFT (DE) 1981-10-20 US disclosed