SCHEMBL11329949

SCHEMBL11329949

C[C@H]1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)COC(=O)CCS(=O)(=O)O)[C@@]2(C)C=CC(=O)C=C12.[NaH]

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.81
CYP3A4 P08684 5/20 0.76
PGR P06401 4/20 0.76
AR P10275 2/20 0.76
F2 P00734 1/20 0.76
HIF1A Q16665 10/20 0.69
HSD17B10 Q99714 4/20 0.69
ABCB11 O95342 3/20 0.69
ALDH1A1 P00352 2/20 0.69
ABCC4 O15439 1/20 0.69
NR1I2 O75469 1/20 0.69
PDE4D Q08499 1/20 0.69
LMNA P02545 1/20 0.58
KMT2A Q03164 1/20 0.50
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
ADAM17 P78536 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
SCHEMBL11326470 1.00 NR3C1 (0.81) NR3C1CYP3A4PGRARF2
SCHEMBL11329966 1.00 NR3C1 (0.81) NR3C1CYP3A4PGRARF2
SCHEMBL11207101 0.99 NR3C1 (0.82) NR3C1CYP3A4PGRARF2
SCHEMBL11207103 0.99 NR3C1 (0.82) NR3C1CYP3A4PGRARF2
SCHEMBL11201742 0.93 NR3C1 (0.82) NR3C1CYP3A4PGRARF2
SCHEMBL11329958 0.93 NR3C1 (0.82) NR3C1CYP3A4PGRARF2
SCHEMBL11207168 0.91 NR3C1 (0.69) NR3C1CYP3A4PGRARF2
SCHEMBL11207172 0.91 NR3C1 (0.69) NR3C1CYP3A4PGRARF2
SCHEMBL10910221 0.89 NR3C1 (0.85) NR3C1CYP3A4PGRARF2
Methylprednisolone Hemisuccinate SCHEMBL7915 0.89 NR3C1 (1.00) NR3C1CYP3A4PGRARF2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4296109-A ANTISHOCK, ANTIINFLAMMATORY SCHERING, AKTIENGESELLSCHAFT (DE) 1981-10-20 US disclosed