SCHEMBL2364901

SCHEMBL2364901

Cc1ccc(-c2ccccc2CC(=O)NCCC(=O)O)cc1.O=C(O)CCNC(=O)Cc1ccccc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.52
GCG P01275 2/20 0.46
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE10A Q9Y233 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR5 Q9H228 1/20 0.39
HPGD P15428 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL2363580 0.93 GCGR (0.58) GCGRGCGHPGDHDAC3HDAC4
SCHEMBL2362953 0.75 HPGD (0.52) GCGRGCGKMT2AMEN1HPGD
SCHEMBL2363384 0.73 GCGR (0.57) GCGRGCG
SCHEMBL2364903 0.72 PTGER1 (0.39) GCGRFFAR1FFAR4S1PR4S1PR5
SCHEMBL3738754 0.72 FFAR1 (0.53) FFAR1FFAR4KMT2ATSHRLMNA
SCHEMBL14054246 0.69 GCGR (1.00) GCGR
SCHEMBL13602497 0.69 ATM (0.51) KMT2AMEN1TSHRHPGDLMNA
SCHEMBL7600170 0.68 FFAR1 (0.46) FFAR1FFAR4KMT2AMEN1SMN1; SMN2
SCHEMBL3200958 0.68 AKR1B1 (0.58) TSHRHPGD
SCHEMBL9288019 0.68 TRPA1 (0.49)

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-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP claimed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO claimed