SCHEMBL2652589

SCHEMBL2652589

Cc1cc(OCC(C)CCc2ccc(C(=O)O)s2)cc(C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35
NOD2 Q9HC29 1/20 0.35
GPR88 Q9GZN0 1/20 0.34
MCL1 Q07820 1/20 0.34
DAO P14920 2/20 0.33
PRSS1 P07477 1/20 0.32
TMPRSS15 P98073 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2653842 0.85 ALDH1A1 (0.38) ALDH1A1LMNAHPGDMCL1PRSS1
SCHEMBL2654035 0.82 HPGD (0.38) ALDH1A1LMNAHPGDMAPTTSHR
SCHEMBL2655622 0.74 ALDH1A1 (0.45) ALDH1A1LMNAHPGDTP53MAPT
SCHEMBL6194559 0.73 DAO (0.42) ALDH1A1LMNAHPGDMRGPRX4TP53
SCHEMBL2653999 0.72 FFAR1 (0.41) GPR88MCL1TSHR
SCHEMBL6196081 0.72 DAO (0.41) ALDH1A1LMNAHPGDMRGPRX4TP53
SCHEMBL2654239 0.72 GCGR (0.41) LMNATP53MAPTMCL1PRSS1
SCHEMBL2652978 0.71 ALDH1A1 (0.41) ALDH1A1LMNAHPGDMCL1PRSS1
SCHEMBL7013256 0.71 ALDH1A1 (0.46) ALDH1A1LMNAHPGDMRGPRX4TP53
SCHEMBL2654772 0.71 GCGR (0.36) MCL1PRSS1TMPRSS15

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