SCHEMBL28547684

SCHEMBL28547684

COC(=O)C(S)CCCCCC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.41
ZDHHC7 Q9NXF8 1/20 0.41
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
ABCB1 P08183 1/20 0.33
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL9589397 0.84 MMP1 (0.41) ZDHHC7MMP1MMP13CA1CA2
SCHEMBL28405976 0.81 ZDHHC7 (0.61) ZDHHC7CA1CA2ABCB1USP2
SCHEMBL28097457 0.81 ZDHHC7 (0.61) ZDHHC7CA1CA2ABCB1USP2
SCHEMBL27896499 0.81 ZDHHC7 (0.43) ZDHHC7MMP1MMP13CA1CA2
SCHEMBL15955195 0.81 ZDHHC7 (0.61) ZDHHC7CA1CA2ABCB1USP2
SCHEMBL28285445 0.81 ZDHHC7 (0.43) ZDHHC7MMP1MMP13CA1CA2
SCHEMBL28405733 0.81 ZDHHC7 (0.61) ZDHHC7CA1CA2ABCB1USP2
SCHEMBL10745725 0.81 ZDHHC7 (0.61) ZDHHC7CA1CA2ABCB1USP2
SCHEMBL15954362 0.81 ZDHHC7 (0.61) ZDHHC7CA1CA2ABCB1USP2
SCHEMBL28429604 0.79 ZDHHC7 (0.42) ZDHHC7MMP1MMP13CA1CA2

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
CN-111944140-B Polymeric prodrug micelle with reduction responsiveness and preparation method and application thereof 南开大学 2022-06-10 CN disclosed
CN-111944140-A Polymeric prodrug micelle with reduction responsiveness and preparation method and application thereof 南开大学 2020-11-17 CN disclosed