SCHEMBL2653837

SCHEMBL2653837

COC(=O)CCNC(=O)c1ccc(CCC(C)COc2cc(C)cc(C)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
ALDH1A1 P00352 3/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
NAMPT P43490 1/20 0.36
NPC1 O15118 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
RPS6KB2 Q9UBS0 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL2654035 0.91 HPGD (0.38) HPGDALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL2654086 0.84 GCGR (0.40) HPGDMAPTSMN1; SMN2LMNAEPHX2
SCHEMBL2654877 0.82 HPGD (0.36) HPGDMAPTSMN1; SMN2LMNAADRB2
SCHEMBL2653842 0.82 ALDH1A1 (0.38) HPGDALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL2653014 0.81 SMN1; SMN2 (0.36) HPGDMAPTSMN1; SMN2LMNANAMPT
SCHEMBL2654239 0.81 GCGR (0.41) MAPTLMNA
SCHEMBL2655747 0.80 MCL1 (0.40) POLBSMN1; SMN2NPC1EPHX2
SCHEMBL2653999 0.79 FFAR1 (0.41) SMN1; SMN2NPC1EPHX2
SCHEMBL2654772 0.79 GCGR (0.36)
SCHEMBL2652978 0.78 ALDH1A1 (0.41) HPGDALDH1A1POLBSMN1; SMN2LMNA

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