SCHEMBL7696202

SCHEMBL7696202

CC(C)(C)c1cc(CCC(=O)O)c(-n2nc3ccccc3n2)cc1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 2/20 0.40
HDAC6 Q9UBN7 4/20 0.37
NR1H4 Q96RI1 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
POLB P06746 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7689792 0.88 HDAC6 (0.37) NPC1GAAHDAC6NR1H4PPARG
SCHEMBL3297999 0.87 KDM4E (0.44) NPC1RAB9ALMNAGAAPPARG
SCHEMBL30929993 0.84 ALDH1A1 (0.36) NPC1RAB9ALMNAGAAPOLB
SCHEMBL8835025 0.79 NR1H4 (0.37) NPC1RAB9AGAAHDAC6NR1H4
SCHEMBL7199140 0.79 PPARG (0.44) NPC1RAB9AGAAHDAC6NR1H4
SCHEMBL29768287 0.79 MAOB (0.45) NPC1RAB9ALMNAGAAPOLB
SCHEMBL100766 0.79 MAOB (0.45) NPC1RAB9ALMNAGAAPOLB
SCHEMBL8362661 0.79 NR1H4 (0.44) NPC1RAB9ALMNAHDAC6NR1H4
SCHEMBL8640100 0.77 NR1H4 (0.42) NPC1RAB9ALMNAGAAHDAC6
SCHEMBL29213557 0.76 MAOB (0.40) NPC1RAB9ALMNAGAAPOLB

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-2002079173-A1 BENZOTRIAZOLES AND THEIR USE AS UV LIGHT STABILISERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 WO claimed