SCHEMBL7150654

SCHEMBL7150654

NCCCC[C@H](Nc1ccc(N)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
FOLH1 Q04609 1/20 0.45
GSR P00390 1/20 0.41
RNPEP Q9H4A4 1/20 0.40
TLR2 O60603 1/20 0.39
ERAP2 Q6P179 4/20 0.38
LNPEP Q9UIQ6 4/20 0.38
ERAP1 Q9NZ08 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
LTA4H P09960 1/20 0.37
SLC15A2 Q16348 1/20 0.37
CPB2 Q96IY4 2/20 0.37
SLC6A5 Q9Y345 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
Hydrochloric Acid SCHEMBL7149899 0.98 CA1 (0.47) CA1CA2MMP2MMP9FOLH1
SCHEMBL14089665 0.90 MAPT (0.42) CA1CA2MMP2MMP9FOLH1
Hydrochloric Acid SCHEMBL4956559 0.89 MAPT (0.41) CA1CA2MMP2MMP9FOLH1
SCHEMBL8209820 0.88 CA1 (0.48) CA1CA2MMP2MMP9FOLH1
SCHEMBL8209818 0.88 CA1 (0.48) CA1CA2MMP2MMP9FOLH1
SCHEMBL6578877 0.87 MMP2 (0.56) CA1CA2MMP2MMP9FOLH1
SCHEMBL6578880 0.87 MMP2 (0.56) CA1CA2MMP2MMP9FOLH1
SCHEMBL5151257 0.85 FOLH1 (0.40) CA1CA2FOLH1MAPTRAB9A
SCHEMBL6138189 0.81 CA1 (0.44) CA1CA2MMP2MMP9FOLH1
SCHEMBL8662460 0.81 ITGB3 (0.54) CA1CA2MMP2MMP9GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630004-B1 Ready-to-use dyeing composition for keratinous fibers comprising, in dyeing medium, oxidizing agent chosen from hydrogen peroxide, urea hydrogen peroxide, alkali metal bromates, persalts and enzymes, and specified oxidation base L'OREAL S.A. (FR) 2003-10-07 US claimed
EP-0908445-B1 Oxidation dyeing composition for keratin fibres containing an amino acid derivative as oxidation base and aminoacid derivatives OREAL (FR) 2001-12-12 EP claimed
EP-0908445-A1 Oxidation dyeing composition for keratin fibres containing an amino acid derivative as oxidation base and aminoacid derivatives L'OREAL (FR) 1999-04-14 EP claimed
US-6630004-B1 Ready-to-use dyeing composition for keratinous fibers comprising, in dyeing medium, oxidizing agent chosen from hydrogen peroxide, urea hydrogen peroxide, alkali metal bromates, persalts and enzymes, and specified oxidation base L'OREAL S.A. (FR) 2003-10-07 US disclosed
EP-0908445-B1 Oxidation dyeing composition for keratin fibres containing an amino acid derivative as oxidation base and aminoacid derivatives OREAL (FR) 2001-12-12 EP disclosed
EP-0908445-A1 Oxidation dyeing composition for keratin fibres containing an amino acid derivative as oxidation base and aminoacid derivatives L'OREAL (FR) 1999-04-14 EP disclosed