SCHEMBL2654020

SCHEMBL2654020

CCCCc1ccccc1-c1c(C)cc(O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.45
LIPG Q9Y5X9 1/20 0.40
ELANE P08246 3/20 0.40
CTSG P08311 3/20 0.40
CYP3A4 P08684 3/20 0.39
ALOX5 P09917 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37

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
SCHEMBL31545748 0.83 PTPN1 (0.41) TYRELANECTSGCYP3A4ALOX5
SCHEMBL2654889 0.83 TYR (0.51) TYRLIPGELANECTSGCYP3A4
SCHEMBL6244688 0.79 TYR (0.48) TYRCYP3A4ALOX5HTTMEN1
SCHEMBL29097672 0.78 HTT (0.45) TYRLIPGELANECTSGCYP3A4
SCHEMBL27743448 0.78 ELANE (0.39) TYRLIPGELANECTSGCYP3A4
SCHEMBL2863887 0.77 ALOX5 (0.46) TYRLIPGELANECTSGCYP3A4
SCHEMBL2701240 0.76 LIPG (0.50) TYRLIPGELANECTSGCYP3A4
SCHEMBL11098791 0.76 ELANE (0.42) TYRLIPGELANECTSGCYP3A4
SCHEMBL11081414 0.75 LIPG (0.43) TYRLIPGELANECTSGCYP3A4
SCHEMBL28357289 0.75 ELANE (0.54) TYRLIPGELANECTSGALOX5

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 4 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
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 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
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed