SCHEMBL4737478

SCHEMBL4737478

CCCC[P+](CCCC)(CCCC)CCCC.COC(=O)c1cc(Oc2ccc(S(=O)(=O)[O-])cc2)cc(C(=O)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.42
MMP9 P14780 3/20 0.42
MMP1 P03956 4/20 0.41
MMP2 P08253 3/20 0.41
MMP3 P08254 3/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 1/20 0.39
USP2 O75604 1/20 0.39
ADAM17 P78536 2/20 0.38
ERAP2 Q6P179 2/20 0.38
LNPEP Q9UIQ6 2/20 0.38
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MGLL Q99685 1/20 0.37
NR1I2 O75469 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL4739944 0.88 MEN1 (0.42) MMP13MMP9KMT2AMEN1USP2
SCHEMBL3138874 0.86 LMNA (0.40) MMP13MMP9MMP1MMP2MMP3
SCHEMBL472699 0.85 USP2 (0.48) KMT2AUSP2CYP2C9ALDH1A1KDM4E
SCHEMBL11514896 0.83 NR1I2 (0.39) MMP13MMP9MMP1MMP2MMP3
SCHEMBL2769060 0.83 PRKCA (0.40) MMP13MMP9MMP1MMP2MMP3
SCHEMBL3945214 0.82 LMNA (0.42) MMP13MMP9MMP1MMP2MMP3
SCHEMBL3944685 0.80 KDM4E (0.46) KMT2AERAP2LNPEPALDH1A1KDM4E
SCHEMBL5076557 0.77 L3MBTL1 (0.42) MMP13MMP1ALDH1A1KDM4EL3MBTL1
SCHEMBL4737482 0.76 USP2 (0.38) KMT2AMEN1MAPTUSP2CYP2C9
SCHEMBL6430764 0.76 USP2 (0.49) KMT2AUSP2CYP2C9ALDH1A1KDM4E

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
WO-2008085852-A1 USE OF COPOLYMERIZABLE SULFONATE SALTS TO PROMOTE CHAR FORMATION IN POLYESTERS AND COPOLYESTERS EASTMAN CHEMICAL COMPANY (US) 2008-07-17 WO disclosed
US-20080167440-A1 Use of copolymerizable sulfonate salts to promote char formation in polyesters and copolyesters EASTMAN CHEMICAL COMPANY 2008-07-10 US disclosed