SCHEMBL8325668

SCHEMBL8325668

C[C@](c1ccc2c(c1)OCCO2)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.69
PGR P06401 9/20 0.69
NR3C2 P08235 9/20 0.69
AR P10275 9/20 0.69
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
MAP2K4 P45985 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PLA2G7 Q13093 5/20 0.36

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
SCHEMBL6090405 1.00 NR3C1 (0.69) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL6090257 0.96 NR3C1 (0.67) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL6089796 0.94 NR3C1 (0.69) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL6091030 0.85 NR3C1 (0.51) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL1349350 0.84 NR3C1 (0.48) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL8321218 0.83 NR3C1 (0.82) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL8325656 0.82 NR3C2 (0.81) NR3C1PGRNR3C2AR
SCHEMBL6089733 0.82 NR3C1 (1.00) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL8320352 0.82 NR3C1 (1.00) NR3C1PGRNR3C2ARPLA2G7
SCHEMBL6090200 0.82 NR3C1 (1.00) NR3C1PGRNR3C2ARPLA2G7

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
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO disclosed