SCHEMBL2363580

SCHEMBL2363580

O=C(O)CCNC(=O)Cc1ccccc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.58
GCG P01275 2/20 0.48
HPGD P15428 1/20 0.43
PTGER1 P34995 2/20 0.43
PTGER3 P43115 2/20 0.43
PTGER2 P43116 2/20 0.43
PTGER4 P35408 1/20 0.43
ATM Q13315 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TEAD2 Q15562 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL2364901 0.93 GCGR (0.52) GCGRGCGHPGDHDAC3HDAC4
SCHEMBL2362953 0.80 HPGD (0.52) GCGRGCGHPGD
SCHEMBL2363384 0.75 GCGR (0.57) GCGRGCG
SCHEMBL14054246 0.74 GCGR (1.00) GCGR
SCHEMBL3200958 0.73 AKR1B1 (0.58) HPGDATM
SCHEMBL29415449 0.72 ATM (0.53) HPGDPTGER1PTGER3PTGER2PTGER4
SCHEMBL2804428 0.72 ATM (0.53) HPGDPTGER1PTGER3PTGER2PTGER4
SCHEMBL13602497 0.71 ATM (0.51) HPGDATM
SCHEMBL9444876 0.70 CCNC (0.52) GCGRPTGER1PTGER3PTGER2PTGER4
SCHEMBL9288019 0.70 TRPA1 (0.49) PTGER1PTGER3PTGER2CHRM1

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 disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed