SCHEMBL4336831

SCHEMBL4336831

CC(C)CCNC(=O)c1cc(O)ccc1C[C@H](C)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
KCNA5 P22460 8/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
ADORA2A P29274 1/20 0.41
NAAA Q02083 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
Hydrochloric Acid SCHEMBL4333945 0.99 HPGD (0.44) HPGDKCNA5SMN1; SMN2NPC1RAB9A
SCHEMBL4328756 0.82 CA12 (0.43) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL1578391 0.80 KCNA5 (0.49) HPGDKCNA5
Hydrochloric Acid SCHEMBL1578094 0.79 KCNA5 (0.49) HPGDKCNA5
SCHEMBL4327258 0.78 CA12 (0.50) HPGDKMT2AMEN1CYP3A4ALDH1A1
SCHEMBL4320987 0.74 KCNA5 (0.39) HPGDKCNA5SMN1; SMN2NPC1RAB9A
SCHEMBL2209475 0.69 KCNA5 (0.56) HPGDKCNA5SMN1; SMN2NPC1RAB9A
SCHEMBL17301589 0.68 SMN1; SMN2 (0.69) HPGDKCNA5SMN1; SMN2NPC1RAB9A
SCHEMBL10534737 0.68 AOX1 (0.47) HPGDSMN1; SMN2NAAAHTTKDM4E
SCHEMBL11087644 0.67 NPC1 (0.63) HPGDKCNA5SMN1; SMN2NPC1RAB9A

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
WO-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed