SCHEMBL6862088

SCHEMBL6862088

CC1=C(C)CC(C(=O)Nc2nc(-c3ccc(C)cc3C)c(C)s2)C(C(=O)O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 1.00
MAPT P10636 1/20 1.00
ALDH1A1 P00352 4/20 0.64
HTT P42858 2/20 0.64
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
LRRK2 Q5S007 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL1915818 0.87 MAPT (0.77) GAAMAPTALDH1A1HTTKDM4E
SCHEMBL2397324 0.87 GAA (0.77) GAAMAPTALDH1A1HTTKDM4E
SCHEMBL17899112 0.84 ALDH1A1 (0.83) GAAMAPTALDH1A1HTTKDM4E
SCHEMBL2397574 0.78 MAPT (0.64) GAAMAPTALDH1A1HTTKDM4E
SCHEMBL1914809 0.78 GAA (0.64) GAAMAPTALDH1A1HTTKDM4E
SCHEMBL6861634 0.76 ALDH1A1 (0.77) GAAMAPTALDH1A1HTTKDM4E
SCHEMBL17899118 0.74 ALDH1A1 (0.74) GAAMAPTALDH1A1HTTKDM4E
SCHEMBL5576161 0.74 ALDH1A1 (0.72) GAAMAPTALDH1A1HTTKDM4E
SCHEMBL5574964 0.73 ALDH1A1 (0.71) GAAMAPTALDH1A1HTTKDM4E
SCHEMBL5574968 0.73 ALDH1A1 (0.71) GAAMAPTALDH1A1HTTKDM4E

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
EP-1452590-A1 STEREOSTRUCTURE OF DNA RECOMBINATION REPAIR ENZYME AND UTILIZATION THEREOF Riken (JP) 2004-09-01 EP disclosed