SCHEMBL10140562

SCHEMBL10140562

CC(C)c1ccc(CCI)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
PYCR1 P32322 1/20 0.41
FKBP1A P62942 1/20 0.41
RAB9A P51151 3/20 0.40
TYR P14679 1/20 0.39
DHFR P00374 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 2/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10729588 0.87 IDO1 (0.56) IDO1ALDH1A1L3MBTL1PYCR1FKBP1A
SCHEMBL8036454 0.83 IDO1 (0.48) IDO1ALDH1A1L3MBTL1PYCR1FKBP1A
SCHEMBL282563 0.82 IDO1 (0.52) IDO1ALDH1A1L3MBTL1PYCR1RAB9A
SCHEMBL172620 0.82 IDO1 (0.52) IDO1L3MBTL1PYCR1RAB9ATYR
SCHEMBL597719 0.80 IDO1 (0.50) IDO1ALDH1A1L3MBTL1PYCR1FKBP1A
SCHEMBL18463151 0.78 IDO1 (0.48) IDO1ALDH1A1L3MBTL1PYCR1FKBP1A
SCHEMBL1610104 0.78 IDO1 (0.48) IDO1ALDH1A1L3MBTL1PYCR1FKBP1A
SCHEMBL7461724 0.78 IDO1 (0.48) IDO1ALDH1A1L3MBTL1PYCR1FKBP1A
SCHEMBL717640 0.78 TAAR1 (0.56) IDO1ALDH1A1L3MBTL1MAOBKMT2A
SCHEMBL6548229 0.78 ALDH1A1 (0.57) IDO1ALDH1A1L3MBTL1RAB9AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011091417-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-07-28 WO disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed