SCHEMBL27664708

SCHEMBL27664708

CC(C)(C)CC(=O)Nc1ccc(C(=O)O)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.60
RAB9A P51151 5/20 0.54
HPGD P15428 3/20 0.54
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
HSP90AA1 P07900 1/20 0.49
NPY1R P25929 1/20 0.49
HTT P42858 1/20 0.49
NPY2R P49146 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP3A4 P08684 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48

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
SCHEMBL4386933 0.82 ALDH1A1 (0.53) HPGDMAPTGAAMEN1KMT2A
SCHEMBL25704167 0.78 ALDH1A1 (0.53) RAB9AMAPTGAAMEN1KMT2A
SCHEMBL1304698 0.78 RORC (0.54) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL13240444 0.78 SMN1; SMN2 (0.46) RAB9AHPGDMAPTGAAMEN1
SCHEMBL27644497 0.77 ALDH1A1 (0.58) RAB9AHPGDMEN1KMT2ANPC1
SCHEMBL23518443 0.77 RAB9A (0.76) ADORA2ARAB9AHPGDMAPTGAA
SCHEMBL4697609 0.77 CA12 (0.46) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL6567606 0.76 L3MBTL1 (0.53) ADORA2ARAB9AHPGDMAPTGAA
SCHEMBL13610858 0.76 SMN1; SMN2 (0.52) RAB9AHPGDMAPTGAAMEN1
SCHEMBL26114041 0.76 ALDH1A1 (0.57) RAB9AHPGDMEN1KMT2ANPC1

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
CN-1870996-A N-thiazol-2-yl-benzamide derivatives LUNDBECK & CO AS H (DK) 2006-11-29 CN disclosed