SCHEMBL8889475

SCHEMBL8889475

COC(C)(C)[C@H](N)C(=O)Nc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
PKM P14618 2/20 0.49
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
F2 P00734 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FFAR2 O15552 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45

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
SCHEMBL8889472 1.00 POLB (0.52) POLBALDH1A1NPC1RAB9APKM
SCHEMBL7117272 0.85 POLB (0.57) POLBALDH1A1NPC1RAB9APKM
SCHEMBL1254966 0.85 POLB (0.57) POLBALDH1A1NPC1RAB9APKM
SCHEMBL7876554 0.76 POLB (0.57) POLBALDH1A1NPC1RAB9APKM
SCHEMBL7877016 0.75 POLB (0.63) POLBALDH1A1NPC1RAB9APKM
SCHEMBL7876929 0.75 POLB (0.63) POLBALDH1A1NPC1RAB9APKM
SCHEMBL2666190 0.74 ALDH1A1 (0.71) POLBALDH1A1NPC1RAB9APKM
SCHEMBL26741146 0.74 ALDH1A1 (0.60) POLBALDH1A1NPC1RAB9APKM
SCHEMBL26741187 0.74 ALDH1A1 (0.60) POLBALDH1A1NPC1RAB9APKM
SCHEMBL7873377 0.73 EPHX2 (0.48) POLBALDH1A1NPC1RAB9AGAA

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-1997003966-A1 N-(AMINO ACID) SUBSTITUTED SUCCINIC ACID AMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO disclosed