SCHEMBL8325008

SCHEMBL8325008

CCC(O)(CC)c1ccc2[nH]ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
ALOX15 P16050 1/20 0.48
RAD51 Q06609 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
AHR P35869 3/20 0.44
NR4A2 P43354 2/20 0.44
CYP2A6 P11509 2/20 0.44
F7 P08709 1/20 0.44
LTA4H P09960 1/20 0.44
F3 P13726 1/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAOA P21397 1/20 0.43
F2 P00734 1/20 0.42
NPC1 O15118 2/20 0.41
IMPDH2 P12268 1/20 0.41

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
SCHEMBL6089775 0.88 TYR (0.47) USP2GAAALOX15RAD51NPSR1
SCHEMBL23815001 0.82 AHR (0.44) USP2GAAALOX15RAD51NPSR1
SCHEMBL13930917 0.82 AHR (0.44) USP2GAAALOX15RAD51NPSR1
SCHEMBL762037 0.77 AHR (0.50) USP2GAAALOX15RAD51NPSR1
SCHEMBL5720438 0.75 AHR (0.57) USP2GAAALOX15RAD51NPSR1
SCHEMBL6092073 0.74 CYP2A6 (0.49) GAAALOX15CYP2A6MAPTRAB9A
SCHEMBL19180797 0.73 MAOA (0.43) USP2GAAALOX15RAD51NPSR1
SCHEMBL438997 0.73 KIF11 (0.60) USP2GAAALOX15RAD51NPSR1
SCHEMBL5720381 0.73 AHR (0.55) USP2GAAALOX15RAD51NPSR1
SCHEMBL8047856 0.73 AHR (0.46) USP2GAAALOX15RAD51NPSR1

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