SCHEMBL4061306

SCHEMBL4061306

CCCCCOc1ccc(COc2ccc(C=C3SC(=S)NC3=O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.72
MMP13 P45452 1/20 0.72
CTSD P07339 5/20 0.65
HPGD P15428 3/20 0.61
CISD1 Q9NZ45 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
MYC P01106 1/20 0.61
MAX P61244 1/20 0.61
PIM1 P11309 1/20 0.60
PIM2 Q9P1W9 1/20 0.60
MEN1 O00255 2/20 0.60
POLB P06746 2/20 0.60
KMT2A Q03164 2/20 0.60
HRH3 Q9Y5N1 1/20 0.60
BLM P54132 1/20 0.60
NOD2 Q9HC29 1/20 0.60
ADAMTS5 Q9UNA0 2/20 0.59
GPR35 Q9HC97 1/20 0.59
PTPN1 P18031 1/20 0.58

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
SCHEMBL7975036 0.98 MMP3 (0.75) MMP3MMP13CTSDHPGDCISD1
SCHEMBL7975038 0.98 MMP3 (0.75) MMP3MMP13CTSDHPGDCISD1
SCHEMBL8310047 0.93 PIM1 (0.68) MMP3MMP13HPGDCISD1NPC1
SCHEMBL4049839 0.93 MMP3 (0.71) MMP3MMP13CTSDHPGDNPC1
SCHEMBL4053583 0.93 MMP3 (0.71) MMP3MMP13CTSDHPGDNPC1
SCHEMBL13846898 0.92 PIM1 (0.67) MMP3MMP13CISD1NPC1RAB9A
SCHEMBL7968931 0.92 MMP3 (0.69) MMP3MMP13CTSDHPGDNPC1
SCHEMBL7968927 0.92 MMP3 (0.69) MMP3MMP13CTSDHPGDNPC1
SCHEMBL7968122 0.91 MMP3 (0.72) MMP3MMP13CTSDHPGDNPC1
SCHEMBL7968119 0.91 MMP3 (0.72) MMP3MMP13CTSDHPGDNPC1

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-2009109999-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed