SCHEMBL8035707

SCHEMBL8035707

Cc1nc2cc(C(=O)O)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.64
RAB9A P51151 2/20 0.59
GALR3 O60755 1/20 0.59
NR2F2 P24468 1/20 0.59
RORC P51449 1/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL4535196 0.89 PPARG (0.72) PPARGRORCKMT2AHTT
SCHEMBL2161614 0.89 PPARG (0.65) PPARGRAB9ARORCHDAC1HDAC6
SCHEMBL8039631 0.88 PPARG (0.68) PPARGRORCALDH1A1HSD17B10
SCHEMBL31072749 0.87 PPARG (0.52) PPARGRAB9ARORCHDAC1HDAC6
SCHEMBL29343406 0.87 PPARG (0.52) PPARGRAB9ARORCHDAC1HDAC6
SCHEMBL8025911 0.86 KDM4E (0.70) PPARGRAB9AGALR3NR2F2HDAC1
SCHEMBL6172342 0.85 PPARG (0.54) PPARGRAB9ANPC1ALDH1A1KMT2A
SCHEMBL29343405 0.84 THRB (0.52) PPARGRORCHSD17B10
SCHEMBL4570712 0.81 PPARG (0.68) PPARGRAB9ANPC1ALDH1A1HSD17B10
SCHEMBL31072768 0.81 PPARG (0.55) PPARGRORCHDAC1HDAC6ALDH1A1

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-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed