SCHEMBL6529512

SCHEMBL6529512

CC(=O)OCC(CCc1ccc(-c2ccsc2)cc1)C(CC(N)=O)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.40
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
DPP4 P27487 1/20 0.34
MME P08473 3/20 0.32
CHEK2 O96017 2/20 0.32
MMP13 P45452 1/20 0.32
P2RX3 P56373 1/20 0.32
CYP17A1 P05093 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6504727 0.82 S1PR1 (0.45) MMP12
SCHEMBL6500407 0.82 ACACB (0.43) MMP12TDP1
SCHEMBL6530111 0.79 SRC (0.38) MMP12MMP13CYP11B1CYP11B2
SCHEMBL6528946 0.78 THRA (0.39) MMP12DPP4MMP13TDP1
SCHEMBL6528900 0.77 MMP12 (0.39) MMP12
SCHEMBL6529849 0.77 MMP12 (0.35) MMP12
SCHEMBL6527581 0.76 MMP12 (0.36) MMP12
SCHEMBL6527017 0.76 MMP12 (0.40) MMP12
SCHEMBL6531215 0.76 ESR1 (0.37) MMP12
SCHEMBL6530514 0.76 FDFT1 (0.41) MMP12

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-2005014525-A2 BI-ARYL COMPOUND HAVING IMMUNOSUPPRESSIVE ACTIVITY MITSUBISHI PHARMA CORPORATION (JP) 2005-02-17 WO disclosed