SCHEMBL7376111

SCHEMBL7376111

CCOC(=O)CNC(=O)c1cc(CCC(=O)OC(C)(C)C)ccc1NC(=O)c1cccc(NC(=N)N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
NR1H4 Q96RI1 4/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNH2 Q12809 1/20 0.36
PDE10A Q9Y233 1/20 0.36
TP53 P04637 1/20 0.36
HSPH1 Q92598 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7414329 0.85 ITGB3 (0.41) MAPTNR1H4PPARGPPARAITGB3
SCHEMBL7379453 0.84 ITGB3 (0.41) MAPTNR1H4PPARGPPARAITGB3
SCHEMBL7453096 0.79 LMNA (0.48) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL7377969 0.78 KMT2A (0.51) MAPTNR1H4ITGB3ITGA2BSMN1; SMN2
SCHEMBL7856500 0.75 SENP1 (0.48) MAPTPPARGITGB3ITGA2BLMNA
SCHEMBL7452939 0.74 KMT2A (0.41) MAPTKDM4EITGB3ITGA2BSMN1; SMN2
SCHEMBL7414335 0.73 NR1H4 (0.42) MAPTNR1H4PPARGPPARAITGB3
SCHEMBL7373935 0.72 NR1H4 (0.42) MAPTNR1H4ITGB3ITGA2BSMN1; SMN2
SCHEMBL7377400 0.72 MAPT (0.47) MAPTSMN1; SMN2LMNATDP1MEN1
SCHEMBL7832432 0.71 GAA (0.47) MAPTITGB3ITGA2BSMN1; SMN2POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891325-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-01-20 EP disclosed
WO-1997036859-A1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO disclosed