SCHEMBL13523158

SCHEMBL13523158

CC(C)(C)c1ccc(C(C)(Oc2ccc(Br)cc2-n2nc3ccccc3n2)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ PTGER1 P34995 2/20 0.40
▸ MAPT P10636 5/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL13523142 0.96 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1PPARG
SCHEMBL13523151 0.92 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1PPARG
SCHEMBL13523154 0.91 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1PPARG
SCHEMBL13523152 0.87 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1PPARG
SCHEMBL13523138 0.87 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1PPARG
SCHEMBL13523156 0.87 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1PPARG
SCHEMBL13523140 0.86 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1PPARG
SCHEMBL13523137 0.82 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1PPARG
SCHEMBL13522977 0.82 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1PPARG
SCHEMBL13523143 0.82 KDM4E (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1PPARG

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
Send feedback