SCHEMBL2654045

SCHEMBL2654045

CCOC(=O)c1ccc(CCCSc2cc(C)c(-c3ccc(C(F)(F)F)cc3)c(C)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PPARD Q03181 12/20 0.38
PPARA Q07869 9/20 0.38
PPARG P37231 3/20 0.38
DHODH Q02127 1/20 0.36
MLYCD O95822 1/20 0.36
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL2652568 0.88 PPARD (0.40) MEN1KMT2APPARDPPARAPPARG
SCHEMBL2655627 0.85 PPARD (0.39) MEN1KMT2APPARDPPARAPPARG
SCHEMBL2655215 0.85 PPARD (0.39) MEN1KMT2APPARDPPARAPPARG
SCHEMBL2654336 0.83 MAPT (0.45) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL2653207 0.83 MEN1 (0.42) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL2653617 0.82 HPGD (0.38) MAPTKDM4EPPARDPPARAPPARG
SCHEMBL2666531 0.79 MEN1 (0.47) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL2655577 0.79 GRIA4 (0.39) MAPTMEN1KMT2APPARDPPARA
SCHEMBL2653024 0.79 HPGD (0.40) MAPTKDM4EPPARDPPARAPPARG
SCHEMBL2653920 0.79 HDAC3 (0.46) MAPTMEN1KMT2AKDM4EHSP90AA1

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 disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed