SCHEMBL2652978

SCHEMBL2652978

CC(=O)c1ccc(-c2c(C)cc(OCC(C)CCc3ccc(C(=O)NCCC(=O)O)s3)cc2C)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
PRNP P04156 1/20 0.41
RECQL P46063 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.35
MCL1 Q07820 2/20 0.34
GCGR P47871 1/20 0.34
AKT3 Q9Y243 4/20 0.33
FOLR1 P15328 1/20 0.33
FFAR1 O14842 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PRSS1 P07477 1/20 0.32
TMPRSS15 P98073 1/20 0.32
ACKR3 P25106 1/20 0.32
GCG P01275 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL2653883 0.88 KMT2A (0.38) KMT2AMCL1GCGRAKT3FOLR1
SCHEMBL2653999 0.88 FFAR1 (0.41) KMT2AMCL1GCGRFOLR1FFAR1
SCHEMBL2654239 0.87 GCGR (0.41) LMNAKMT2AMCL1GCGRFOLR1
SCHEMBL2653842 0.87 ALDH1A1 (0.38) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL2654772 0.85 GCGR (0.36) KMT2AMCL1GCGRFOLR1FFAR1
SCHEMBL2653953 0.85 GCGR (0.43) KMT2AMCL1GCGRFFAR1GCG
SCHEMBL2655038 0.85 GCGR (0.39) LMNAKMT2AMCL1GCGRFFAR1
SCHEMBL2652676 0.84 GCGR (0.51) KMT2AMCL1GCGRFFAR1ACKR3
SCHEMBL2656326 0.84 S1PR1 (0.38) GCGRFFAR1ACKR3GCGS1PR1
SCHEMBL2654214 0.83 GCGR (0.38) HPGDKMT2AMCL1GCGRFFAR1

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-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP claimed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO claimed