SCHEMBL8340691

SCHEMBL8340691

COC(=O)Cc1ccc(-c2ccc(-c3csc(C(=O)NCCN4CCOCC4)c3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 5/20 0.77
MMP2 P08253 1/20 0.77
MMP8 P22894 1/20 0.77
MMP13 P45452 1/20 0.77
ULK1 O75385 1/20 0.53
LMNA P02545 1/20 0.51
CD274 Q9NZQ7 6/20 0.50
KMT2A Q03164 1/20 0.50
MAPK1 P28482 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL6451943 0.89 MMP12 (0.80) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6469944 0.88 MMP12 (0.78) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6450822 0.87 MMP12 (1.00) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6469642 0.87 MMP12 (0.80) MMP12MMP2MMP8MMP13ULK1
SCHEMBL8343094 0.86 MMP12 (0.82) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6462835 0.84 MMP12 (1.00) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6454268 0.84 MMP12 (0.83) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6461948 0.84 MMP12 (1.00) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6469822 0.83 MMP12 (0.79) MMP12MMP2MMP8MMP13ULK1
SCHEMBL6457123 0.83 MMP12 (0.82) MMP12MMP2MMP8MMP13ULK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed