SCHEMBL2321762

SCHEMBL2321762

CCCCOC(=O)Nc1cccc(C=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.67
HPGD P15428 7/20 0.67
LMNA P02545 2/20 0.67
NPC1 O15118 8/20 0.63
SMN1; SMN2 Q16637 8/20 0.63
CYP1A2 P05177 3/20 0.63
CYP2C19 P33261 3/20 0.63
CYP2C9 P11712 2/20 0.63
EPHX2 P34913 1/20 0.55
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPK1 P28482 2/20 0.52
CASP1 P29466 1/20 0.52
MCL1 Q07820 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL30079042 0.88 RAB9A (0.66) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL7565913 0.87 RAB9A (0.81) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL2281889 0.85 HPGD (0.50) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL7353406 0.83 RAB9A (0.71) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL6347341 0.83 RAB9A (0.65) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL12285188 0.83 RAB9A (0.74) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL13665249 0.83 RAB9A (0.78) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL7286901 0.82 RAB9A (0.65) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL10192011 0.82 RAB9A (0.72) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL27422626 0.82 RAB9A (0.72) RAB9AHPGDLMNANPC1SMN1; 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-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed