SCHEMBL2321758

SCHEMBL2321758

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.69
HPGD P15428 7/20 0.69
LMNA P02545 2/20 0.69
NPC1 O15118 8/20 0.64
SMN1; SMN2 Q16637 8/20 0.64
CYP1A2 P05177 3/20 0.64
CYP2C19 P33261 3/20 0.64
CYP2C9 P11712 2/20 0.64
EPHX2 P34913 1/20 0.56
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 2/20 0.53
CASP1 P29466 1/20 0.53
MCL1 Q07820 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 2/20 0.49
GLA P06280 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49

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
SCHEMBL7565913 0.88 RAB9A (0.81) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL13665249 0.84 RAB9A (0.78) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL12285188 0.84 RAB9A (0.74) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL6347339 0.84 RAB9A (0.65) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL7565917 0.83 RAB9A (0.72) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL27422626 0.83 RAB9A (0.72) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL10192011 0.83 RAB9A (0.72) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL7295364 0.83 RAB9A (0.72) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL3860478 0.82 RAB9A (0.71) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL11218133 0.82 EPHX2 (0.79) 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