SCHEMBL4976535

SCHEMBL4976535

N[C@@H](Cc1cn(C(=O)O)cn1)C(=O)Oc1nccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.37
▸ CPB2 Q96IY4 5/20 0.36
▸ CPB1 P15086 4/20 0.36
▸ KLK5 Q9Y337 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ SSTR1 P30872 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ ACACB O00763 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ KDM4A O75164 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL268261 0.85 KLK5 (0.34) FFAR1CPB2CPB1KLK5NCOA3
SCHEMBL28114917 0.76 FFAR1 (0.42) FFAR1KLK5NCOA3LMNASSTR1
SCHEMBL4308250 0.73 NLN (0.53) —
SCHEMBL28967691 0.71 LMNA (0.50) FFAR1KLK5NCOA3LMNASSTR1
SCHEMBL4726518 0.70 CYP1A2 (0.45) CPB2CPB1CYP1A2
SCHEMBL4727798 0.70 CYP1A2 (0.45) CPB2CPB1CYP1A2
SCHEMBL761986 0.69 KLK5 (0.50) FFAR1KLK5NCOA3LMNASSTR1
SCHEMBL28198079 0.68 KLK5 (0.49) FFAR1KLK5NCOA3LMNASSTR1
SCHEMBL2230387 0.68 KLK5 (0.49) FFAR1KLK5NCOA3LMNASSTR1
SCHEMBL4353465 0.67 KLK5 (0.51) FFAR1KLK5NCOA3LMNASSTR1

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
EP-1514105-B1 METHODS OF MODULATING TUBULIN DEACETYLASE ACTIVITY UNIV CALIFORNIA (US) 2008-10-29 — — EP disclosed
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