SCHEMBL13522977

SCHEMBL13522977

CC(Oc1ccc(C(F)(F)F)cc1-n1nc2ccccc2n1)(C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ PPARG P37231 2/20 0.42
▸ PPARA Q07869 2/20 0.42
▸ MAPT P10636 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ LTB4R Q15722 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ TAS2R14 Q9NYV8 1/20 0.36
▸ IGF2BP2 Q9Y6M1 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL13523152 0.94 ALDH1A1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2PPARG
SCHEMBL13522967 0.92 NPC1 (0.55) NPC1ALDH1A1RAB9ASMN1; SMN2PPARG
SCHEMBL13522973 0.91 ALDH1A1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2PPARG
SCHEMBL13523154 0.88 NPC1 (0.45) NPC1ALDH1A1RAB9ASMN1; SMN2PPARG
SCHEMBL13523146 0.85 KDM4E (0.40) NPC1ALDH1A1RAB9ASMN1; SMN2PPARG
SCHEMBL13523142 0.84 NPC1 (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2PPARG
SCHEMBL13523137 0.84 ALDH1A1 (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2PPARG
SCHEMBL13522969 0.84 NPC1 (0.60) NPC1ALDH1A1RAB9ASMN1; SMN2PPARG
SCHEMBL13523144 0.83 NPC1 (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2PPARG
SCHEMBL13523158 0.82 NPC1 (0.42) NPC1ALDH1A1RAB9ASMN1; SMN2PPARG

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

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