SCHEMBL2654064

SCHEMBL2654064

CCOC(=O)c1ccc(CCCCCCO)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HPGD P15428 2/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
PRNP P04156 1/20 0.48
RECQL P46063 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CYP4F2 P78329 4/20 0.43
CYP4A11 Q02928 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ERN1 O75460 2/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
GAA P10253 2/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2655129 1.00 POLB (0.49) POLBTDP1HDAC3HDAC4HDAC1
SCHEMBL2653395 1.00 POLB (0.49) POLBTDP1HDAC3HDAC4HDAC1
SCHEMBL2653673 0.98 HDAC3 (0.50) POLBTDP1HDAC3HDAC4HDAC1
SCHEMBL2653067 0.94 HDAC3 (0.51) POLBTDP1HDAC3HDAC4HDAC1
SCHEMBL2653869 0.88 HDAC3 (0.54) POLBTDP1HDAC3HDAC4HDAC1
SCHEMBL20772406 0.87 POLB (0.48) POLBTDP1HDAC3HDAC4HDAC1
SCHEMBL20772045 0.85 HDAC3 (0.49) POLBTDP1HDAC3HDAC4HDAC1
SCHEMBL6981207 0.85 HPGD (0.57) POLBTDP1HPGDALDH1A1LMNA
SCHEMBL2162982 0.83 HPGD (0.55) POLBTDP1HPGDALDH1A1LMNA
SCHEMBL5736276 0.83 HDAC3 (0.53) POLBTDP1HDAC3HDAC4HDAC1

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