SCHEMBL2364749

SCHEMBL2364749

CCCCOC(=O)NC(C)(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
PRSS1 P07477 5/20 0.46
CTSG P08311 5/20 0.46
CTRB1 P17538 5/20 0.46
CMA1 P23946 5/20 0.46
RAB9A P51151 6/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.45
NAAA Q02083 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 5/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASP1 P29466 1/20 0.42

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
SCHEMBL12471939 0.77 PRSS1 (0.49) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL3658399 0.75 ITGB3 (0.53) POLBRAB9ALMNASMN1; SMN2NPC1
SCHEMBL28194649 0.75 NAAA (0.58) POLBRAB9AHPGDLMNAKDM4E
SCHEMBL3848857 0.74 SMN1; SMN2 (0.63) POLBRAB9AHPGDLMNAKDM4E
SCHEMBL27530408 0.73 POLB (0.66) POLBRAB9AHPGDKDM4ENAAA
SCHEMBL10440896 0.73 POLB (0.48) POLBRAB9AHPGDLMNAKDM4E
Pivalate SCHEMBL10779199 0.73 LMNA (0.67) POLBRAB9AHPGDLMNASMN1; SMN2
SCHEMBL7887426 0.72 PRSS1 (0.53) PRSS1CTSGCTRB1CMA1RAB9A
SCHEMBL290981 0.72 TDP1 (0.50) POLBRAB9AHPGDLMNASMN1; SMN2
SCHEMBL2364751 0.72 RAB9A (0.49) RAB9AHPGDLMNANAAASMN1; 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 2 patents. 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 claimed
WO-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed