SCHEMBL13522972

SCHEMBL13522972

CC(Oc1ccccc1-n1nc2ccccc2n1)(C(=O)O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ NPC1 O15118 7/20 0.41
▸ RAB9A P51151 7/20 0.41
▸ ALDH1A1 P00352 7/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ KDM4E B2RXH2 7/20 0.38
▸ HPGD P15428 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MITF O75030 1/20 0.33
▸ KLF5 Q13887 1/20 0.33
▸ IGF2BP2 Q9Y6M1 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL13522969 0.86 NPC1 (0.60) PPARGPPARANPC1RAB9AALDH1A1
SCHEMBL13523144 0.85 NPC1 (0.44) PPARGPPARANPC1RAB9AALDH1A1
SCHEMBL13523148 0.84 ALDH1A1 (0.44) PPARGPPARANPC1RAB9AALDH1A1
SCHEMBL13523154 0.84 NPC1 (0.45) PPARGPPARANPC1RAB9AALDH1A1
SCHEMBL13523137 0.82 ALDH1A1 (0.46) PPARGPPARANPC1RAB9AALDH1A1
SCHEMBL13523142 0.82 NPC1 (0.44) PPARGPPARANPC1RAB9AALDH1A1
SCHEMBL13522977 0.82 NPC1 (0.44) PPARGPPARANPC1RAB9AALDH1A1
SCHEMBL13523158 0.80 NPC1 (0.42) PPARGPPARANPC1RAB9AALDH1A1
SCHEMBL13523156 0.80 ALDH1A1 (0.42) PPARGPPARANPC1RAB9AALDH1A1
SCHEMBL13522964 0.79 ALDH1A1 (0.56) PPARGPPARANPC1RAB9AALDH1A1

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
US-7642358-B2 Substituted phenylacetic acids METABOLEX, INC. (US) 2010-01-05 — — US disclosed
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