SCHEMBL166870

SCHEMBL166870

Cc1ccc(C(=O)O)c(C)c1C(=O)NCc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 2/20 0.55
HPGD P15428 5/20 0.55
RAB9A P51151 4/20 0.55
KDM4E B2RXH2 2/20 0.55
SORT1 Q99523 1/20 0.55
LMNA P02545 4/20 0.53
HTT P42858 2/20 0.53
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.50

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
SCHEMBL164426 0.89 L3MBTL1 (0.55) ALDH1A1L3MBTL1CYP1A2POLBHPGD
SCHEMBL164424 0.84 HPGD (0.57) ALDH1A1L3MBTL1CYP1A2POLBHPGD
SCHEMBL13534520 0.79 HPGD (0.63) ALDH1A1L3MBTL1CYP1A2POLBHPGD
SCHEMBL11829949 0.78 LMNA (0.72) ALDH1A1L3MBTL1POLBHPGDRAB9A
SCHEMBL5321616 0.77 HPGD (0.69) ALDH1A1L3MBTL1CYP1A2POLBHPGD
SCHEMBL27680048 0.76 HPGD (0.64) ALDH1A1L3MBTL1CYP1A2POLBHPGD
SCHEMBL12391554 0.75 LMNA (0.66) ALDH1A1L3MBTL1CYP1A2POLBHPGD
SCHEMBL243740 0.74 SMN1; SMN2 (0.76) ALDH1A1L3MBTL1POLBHPGDRAB9A
SCHEMBL30602600 0.74 SMN1; SMN2 (0.76) ALDH1A1L3MBTL1POLBHPGDRAB9A
SCHEMBL165508 0.74 RAB9A (0.55) ALDH1A1RAB9ASORT1LMNAHTT

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
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed