SCHEMBL15085660

SCHEMBL15085660

CN(C)C(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
MME P08473 5/20 0.44
ACE P12821 4/20 0.44
ACE2 Q9BYF1 3/20 0.44
ADAMTS5 Q9UNA0 1/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CPA1 P15085 2/20 0.41
SRR Q9GZT4 2/20 0.40
PSAT1 Q9Y617 2/20 0.40
HPGD P15428 1/20 0.40
GHSR Q92847 1/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL2500069 0.92 HPGD (0.48) ALDH1A1MAPTADAMTS5MMP9MMP8
SCHEMBL28932692 0.92 HPGD (0.48) ALDH1A1MAPTADAMTS5MMP9MMP8
SCHEMBL2501195 0.86 SLC7A5 (0.41) TAAR1HPGD
SCHEMBL2492807 0.83 MAOB (0.53) MMP9MMP8PPARGPPARAFFAR1
SCHEMBL21526204 0.78 FAAH (0.44) ALDH1A1MAPTADAMTS5MMP9MMP8
SCHEMBL1126593 0.78 FAAH (0.44) ALDH1A1MAPTADAMTS5MMP9MMP8
SCHEMBL28656503 0.78 CYP1A2 (0.47) ALDH1A1MAPTADAMTS5CPA1SRR
SCHEMBL16932216 0.78 MME (0.46) ALDH1A1MAPTMMEACEACE2
SCHEMBL16932215 0.78 MME (0.46) ALDH1A1MAPTMMEACEACE2
SCHEMBL18554251 0.77 MME (0.41) ALDH1A1MAPTMMEACEACE2

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
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed