SCHEMBL14266186

SCHEMBL14266186

COc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.67
▸ THRB P10828 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ RXFP1 Q9HBX9 1/20 0.67
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ CETP P11597 11/20 0.57
▸ TP53 P04637 4/20 0.56
▸ KMT2A Q03164 1/20 0.50
▸ HPGD P15428 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ APP P05067 1/20 0.49

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
SCHEMBL15745638 0.88 NPC1 (0.66) MAPTTHRBSMN1; SMN2RXFP1NPC1
SCHEMBL11446660 0.86 NPC1 (0.64) MAPTTHRBSMN1; SMN2RXFP1NPC1
SCHEMBL9681997 0.81 NPC1 (0.71) MAPTTHRBSMN1; SMN2NPC1RAB9A
SCHEMBL14266179 0.81 ALDH1A1 (0.59) MAPTTHRBSMN1; SMN2RXFP1NPC1
SCHEMBL14666773 0.79 NPC1 (0.57) MAPTTHRBSMN1; SMN2RXFP1NPC1
SCHEMBL19440714 0.79 NPC1 (0.57) MAPTTHRBSMN1; SMN2RXFP1NPC1
SCHEMBL11167498 0.78 NPC1 (0.56) MAPTTHRBSMN1; SMN2RXFP1NPC1
SCHEMBL11160763 0.78 NPC1 (0.56) MAPTTHRBSMN1; SMN2RXFP1NPC1
SCHEMBL29460440 0.78 ALDH1A1 (0.78) MAPTTHRBSMN1; SMN2NPC1RAB9A
SCHEMBL4464248 0.78 HDAC6 (0.56) MAPTTHRBSMN1; SMN2RXFP1NPC1

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-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 — — US disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 — — US disclosed
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