SCHEMBL28910063

SCHEMBL28910063

CCCCCCCCCCCCCCCC(c1ccccc1)C(OS(C)(=O)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.36
MMP3 P08254 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CTRC Q99895 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NAAA Q02083 2/20 0.35
NR1I2 O75469 1/20 0.35
PRSS1 P07477 1/20 0.34
CTSG P08311 1/20 0.34
CTRB1 P17538 1/20 0.34
CMA1 P23946 1/20 0.34
MMP9 P14780 2/20 0.34
ATM Q13315 1/20 0.34
MMP1 P03956 1/20 0.34
MMP14 P50281 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSL P07711 1/20 0.34

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
SCHEMBL8516931 0.83 MEN1 (0.40) MMP2MMP3MEN1KMT2AALDH1A1
SCHEMBL11877776 0.80 MMP2 (0.38) MMP2MMP3MEN1KMT2AALDH1A1
SCHEMBL8023300 0.80 MEN1 (0.38) MMP2MMP3MEN1KMT2AALDH1A1
SCHEMBL8016468 0.78 MEN1 (0.37) MMP2MMP3MEN1KMT2AATM
SCHEMBL8023308 0.77 MEN1 (0.39) MMP2MMP3MEN1KMT2AALDH1A1
SCHEMBL8834479 0.77 MMP2 (0.39) MMP2MMP3MEN1KMT2AALDH1A1
SCHEMBL8016478 0.76 MEN1 (0.38) MMP2MMP3MEN1KMT2AALDH1A1
SCHEMBL27886667 0.75 MEN1 (0.42) MMP2MMP3MEN1KMT2ANAAA
SCHEMBL14768367 0.75 MEN1 (0.42) MMP2MMP3MEN1KMT2ANAAA
Phosphine SCHEMBL2673731 0.74 MEN1 (0.41) MMP2MMP3MEN1KMT2ANAAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110357930-B Synthesis method of monothiol dihexadecyl ether polyethylene glycol inter-chain oligosaccharide glycolipid 江苏省计量科学研究院(江苏省能源计量数据中心) 2022-11-08 CN claimed
CN-110357930-B Synthesis method of monothiol dihexadecyl ether polyethylene glycol inter-chain oligosaccharide glycolipid 江苏省计量科学研究院(江苏省能源计量数据中心) 2022-11-08 CN disclosed
CN-110357930-B Synthesis method of monothiol dihexadecyl ether polyethylene glycol inter-chain oligosaccharide glycolipid 江苏省计量科学研究院(江苏省能源计量数据中心) 2022-11-08 CN disclosed