SCHEMBL28429604

SCHEMBL28429604

COC(=O)C(S)CCCCCC(C)C.[SnH2]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.42
MMP1 P03956 1/20 0.39
MMP13 P45452 1/20 0.39
KDM4C Q9H3R0 2/20 0.38
KDM4A O75164 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
ABCB1 P08183 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
RNPEP Q9H4A4 2/20 0.34
BLM P54132 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL28285445 0.98 ZDHHC7 (0.43) ZDHHC7MMP1MMP13KDM4CKDM4A
SCHEMBL27896499 0.98 ZDHHC7 (0.43) ZDHHC7MMP1MMP13KDM4CKDM4A
SCHEMBL8152860 0.85 ZDHHC7 (0.45) ZDHHC7MMP1MMP13ABCB1CA1
SCHEMBL28405733 0.82 ZDHHC7 (0.61) ZDHHC7ABCB1CA1CA2LMNA
SCHEMBL15955195 0.82 ZDHHC7 (0.61) ZDHHC7ABCB1CA1CA2LMNA
SCHEMBL15954362 0.82 ZDHHC7 (0.61) ZDHHC7ABCB1CA1CA2LMNA
SCHEMBL27647853 0.82 RARB (0.38) KDM4CKDM4APHF8KDM2ARNPEP
SCHEMBL10745725 0.82 ZDHHC7 (0.61) ZDHHC7ABCB1CA1CA2LMNA
SCHEMBL28405976 0.82 ZDHHC7 (0.61) ZDHHC7ABCB1CA1CA2LMNA
SCHEMBL28097457 0.82 ZDHHC7 (0.61) ZDHHC7ABCB1CA1CA2LMNA

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
CN-109553638-B Preparation method of ester group mercaptan organotin 美轲(广州)化学股份有限公司 2020-07-17 CN disclosed