SCHEMBL2652528

SCHEMBL2652528

COC(=O)CCNC(=O)c1ccc(CCCCCOc2ccc(-c3ccc(C(C)(C)C)cc3)c(C)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
ACKR3 P25106 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 3/20 0.36
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
GCGR P47871 1/20 0.34
FFAR1 O14842 1/20 0.34
PPARD Q03181 3/20 0.34
POLQ O75417 1/20 0.34
EP300 Q09472 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2655511 0.99 HPGD (0.40) HPGDACKR3MEN1KMT2AMAPT
SCHEMBL2653247 0.97 HPGD (0.39) HPGDACKR3MEN1KMT2AMAPT
SCHEMBL2656127 0.93 GCGR (0.41) ACKR3KMT2AMAPTPPARGPPARA
SCHEMBL2653567 0.92 PPARD (0.41) HPGDMEN1KMT2AMAPTPPARG
SCHEMBL2656490 0.92 GCGR (0.41) ACKR3KMT2AMAPTPPARGPPARA
SCHEMBL2654307 0.90 HPGD (0.43) HPGDACKR3MEN1KMT2AMAPT
SCHEMBL2654407 0.89 GCGR (0.42) ACKR3KMT2AMAPTPPARGPPARA
SCHEMBL2652386 0.89 GCGR (0.42) HPGDACKR3MEN1KMT2AMAPT
SCHEMBL2653812 0.86 GCGR (0.42) HPGDACKR3MEN1KMT2AMAPT
SCHEMBL2655313 0.85 GCGR (0.45) PPARGPPARAGCGRPPARD

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