SCHEMBL2653554

SCHEMBL2653554

COC(=O)CCNC(=O)c1ccc(C=O)cc1.O=Cc1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
PRSS1 P07477 1/20 0.50
CTSG P08311 1/20 0.50
CTRB1 P17538 1/20 0.50
CMA1 P23946 1/20 0.50
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
HPGD P15428 1/20 0.43
LMNA P02545 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL1765747 0.94 ALDH1A1 (0.53) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL2646805 0.84 PRSS1 (0.66) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL19609296 0.83 NPC1 (0.56) ALDH1A1MAPTSMN1; SMN2LMNANPC1
SCHEMBL2650710 0.83 MAPT (0.54) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL10309655 0.81 EPHX2 (0.52) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL2646800 0.81 CA1 (0.58) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL2646881 0.81 CA1 (0.58) ALDH1A1PRSS1CTSGCTRB1CMA1
SCHEMBL2280467 0.79 HPGD (0.62) ALDH1A1MAPTSMN1; SMN2EPHX2NR1H4
SCHEMBL2281194 0.79 EPHX2 (0.56) ALDH1A1SMN1; SMN2EPHX2NR1H4LMNA
SCHEMBL12989840 0.79 EPHX2 (0.52) ALDH1A1PRSS1CTSGCTRB1CMA1

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-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed