SCHEMBL7199140

SCHEMBL7199140

CC(C)(C)c1cc(-n2nc3ccccc3n2)cc(CCC(=O)O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
NR1H4 Q96RI1 2/20 0.39
F2R P25116 1/20 0.37
HDAC6 Q9UBN7 4/20 0.37
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.36
MITF O75030 1/20 0.35
KLF5 Q13887 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 2/20 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
SCHEMBL9420192 0.88 HDAC6 (0.37) PPARGNR1H4HDAC6KDM4ENPC1
SCHEMBL5559373 0.81 PPARG (0.42) PPARGPPARAF2RKDM4ENPC1
SCHEMBL8835025 0.81 NR1H4 (0.37) PPARGPPARANR1H4F2RHDAC6
SCHEMBL7019565 0.81 ALDH1A1 (0.40) PPARGPPARAF2RKDM4EHPGD
SCHEMBL2548304 0.80 KDM4E (0.47) PPARGPPARAF2RKDM4ENPC1
SCHEMBL100766 0.79 MAOB (0.45) F2RNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8362661 0.79 NR1H4 (0.44) PPARGPPARANR1H4HDAC6KDM4E
SCHEMBL7696202 0.79 NPC1 (0.40) PPARGPPARANR1H4HDAC6KDM4E
SCHEMBL29768287 0.79 MAOB (0.45) F2RNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29213557 0.79 MAOB (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100408606-C Pigment compositions containing modified ATRP copolymer dispersants CIBA SC HOLDING AG (CH) 2008-08-06 CN disclosed
CN-1282706-C Pigment compositions with modified block copolymer dispersants CIBA SC HOLDING AG (CH) 2006-11-01 CN disclosed
CN-1639216-A Pigment compositions containing modified ATRP copolymer dispersants CIBA SC HOLDING AG (CH) 2005-07-13 CN disclosed
US-6599326-B1 Composition having reduced loss of brightness and enhanced resistance to yellowing which comprises chemical paper which may still contain traces of lignin and N,N-dialkylhydroxylamine or derivative or salt thereof CIBA SPECIALTY CHEMICALS CORPORATION 2003-07-29 US disclosed
CN-1386794-A Pigment compositions with modified block copolymer dispersants CIBA SC HOLDING AG (CH) 2002-12-25 CN disclosed