SCHEMBL8726470

SCHEMBL8726470

C[C@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 7/20 0.40
ALDH1A1 P00352 5/20 0.40
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
ADAMTS4 O75173 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL8722059 0.86 ADAMTS5 (0.40) RAB9ANPC1ADRB2ADRB1ADRB3
SCHEMBL8722966 0.81 ADAMTS5 (0.37) RAB9ANPC1ADAMTS4ADAMTS5
SCHEMBL8726187 0.81 ADAMTS5 (0.36) RAB9ANPC1MAPTADAMTS4ADAMTS5
SCHEMBL8726175 0.81 ADAMTS5 (0.36) RAB9ANPC1ADAMTS4ADAMTS5
SCHEMBL6778559 0.80 MAPT (0.53) PPARGPPARARAB9ANPC1SMN1; SMN2
SCHEMBL8726195 0.79 NPC1 (0.38) PPARGPPARARAB9ANPC1ALDH1A1
SCHEMBL2247466 0.78 ADAMTS5 (0.44) RAB9ANPC1ADAMTS4ADAMTS5
SCHEMBL12356373 0.78 ADAMTS5 (0.44) RAB9ANPC1ADAMTS4ADAMTS5
SCHEMBL7902794 0.77 KMT2A (0.47) PPARGPPARATP53MAPTALDH1A1
SCHEMBL29170202 0.77 PPARG (0.48) PPARGPPARARAB9ANPC1SMN1; SMN2

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-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 WO disclosed