SCHEMBL2662579

SCHEMBL2662579

Cc1cc(SCCCCCc2ccc(C(=O)NCCC(=O)O)s2)cc(C)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
GCGR P47871 8/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PRNP P04156 1/20 0.38
RECQL P46063 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GIPR P48546 2/20 0.36
PPARD Q03181 3/20 0.36
FAAH O00519 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KMT2A Q03164 1/20 0.36
FOLR1 P15328 1/20 0.35
MAPT P10636 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
HTR1D P28221 1/20 0.35

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
SCHEMBL2653235 0.99 MCL1 (0.43) MCL1GCGRALDH1A1LMNAPRNP
SCHEMBL2652959 0.92 GCGR (0.43) MCL1GCGRALDH1A1LMNAPRNP
SCHEMBL2653460 0.92 HPGD (0.41) MCL1GCGRLMNAPPARDFAAH
SCHEMBL2653596 0.92 GCGR (0.44) MCL1GCGRALDH1A1LMNAPRNP
SCHEMBL2653024 0.91 HPGD (0.40) MCL1GCGRLMNAPPARDFAAH
SCHEMBL2653026 0.89 GCGR (0.44) MCL1GCGRALDH1A1LMNAPRNP
SCHEMBL2653617 0.88 HPGD (0.38) MCL1GCGRLMNAPOLBPPARD
SCHEMBL2666526 0.88 MCL1 (0.46) MCL1GCGRGIPRPPARDPPARG
SCHEMBL2652586 0.87 GCGR (0.45) MCL1GCGRALDH1A1LMNAPRNP
SCHEMBL2655215 0.87 PPARD (0.39) ALDH1A1LMNAPRNPRECQLRXFP1

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