SCHEMBL2654889

SCHEMBL2654889

CCCCc1ccccc1-c1ccc(O)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.51
ESR2 Q92731 6/20 0.49
MAPT P10636 3/20 0.45
CYP3A4 P08684 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
ALOX5 P09917 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ESR1 P03372 5/20 0.45
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
ERAP1 Q9NZ08 1/20 0.40
ALOX12 P18054 1/20 0.39
MAPK10 P53779 1/20 0.39
ATM Q13315 1/20 0.39
LIPG Q9Y5X9 1/20 0.39

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
SCHEMBL2654020 0.83 TYR (0.45) TYRMAPTCYP3A4MEN1KMT2A
SCHEMBL11081414 0.81 LIPG (0.43) TYRCYP3A4LIPGELANECTSG
SCHEMBL1237905 0.79 TYR (0.66) TYRESR2MAPTCYP3A4MEN1
SCHEMBL2701240 0.79 LIPG (0.50) TYRCYP3A4ALOX5LIPGELANE
SCHEMBL27884269 0.79 ESR2 (0.53) ESR2MAPTMEN1KMT2AESR1
SCHEMBL18770767 0.78 TYR (0.51) TYRESR2MAPTCYP3A4MEN1
SCHEMBL330111 0.78 TYR (0.69) TYRESR2MAPTCYP3A4MEN1
SCHEMBL31553269 0.78 TYR (0.69) TYRESR2MAPTCYP3A4MEN1
SCHEMBL1765205 0.77 TYR (0.49) TYRESR2MAPTCYP3A4MEN1
SCHEMBL548498 0.76 ELANE (0.48) TYRCYP3A4TSHRLIPGELANE

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