SCHEMBL23633178

SCHEMBL23633178

O=S(=O)(c1ccc(S)cc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.44
MMP8 P22894 3/20 0.44
MMP1 P03956 2/20 0.44
NAMPT P43490 6/20 0.42
PIK3C3 Q8NEB9 1/20 0.41
DDIT3 P35638 1/20 0.41
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
PIP4K2A P48426 1/20 0.39
ADAM17 P78536 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.37
HTR2A P28223 1/20 0.37
GSR P00390 1/20 0.36
TXNRD1 Q16881 1/20 0.36

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
SCHEMBL1268648 0.98 MMP13 (0.45) MMP13MMP8MMP1NAMPTPIK3C3
SCHEMBL1269462 0.81 DDIT3 (0.44) MMP13MMP8MMP1NAMPTDDIT3
SCHEMBL31518328 0.80 NAMPT (0.45) MMP13MMP8MMP1NAMPTPIK3C3
SCHEMBL31518353 0.80 LMNA (0.45) MMP13MMP8MMP1NAMPTPIK3C3
SCHEMBL9576066 0.80 ESR1 (0.47) MMP13MMP8MMP1NAMPTPIK3C3
SCHEMBL25296150 0.80 MAPK1 (0.56) MMP13MMP8MMP1NAMPTPIK3C3
SCHEMBL20379865 0.80 TSHR (0.46) MMP13MMP8MMP1NAMPTPIK3C3
SCHEMBL765653 0.80 ALDH1A1 (0.49) CYP2C9HTR2AGSRTXNRD1
SCHEMBL11507747 0.80 ALDH1A1 (0.56) MMP13MMP8MMP1KDM4ESMN1; SMN2
SCHEMBL776895 0.79 MAPT (0.55) MMP13MMP8MMP1KDM4ESMN1; SMN2

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-2021140761-A1 RADIATION-SENSITIVE RESIN COMPOSITION, RESIST PATTERN FORMATION METHOD, AND COMPOUND JSR株式会社 2021-07-15 WO disclosed