SCHEMBL28272575

SCHEMBL28272575

NCCCCC(NCC(=O)c1ccco1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
TLR2 O60603 2/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 1/20 0.43
F2 P00734 1/20 0.39
FOLH1 Q04609 1/20 0.39
CPB2 Q96IY4 1/20 0.39
ACE P12821 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL8985344 1.00 ERCC5 (0.44) ERCC5FEN1TLR2MMP2MMP9
SCHEMBL29527346 0.83 NAALAD2 (0.48) ERCC5FEN1MMP9FOLH1ALDH1A1
SCHEMBL28327027 0.83 NAALAD2 (0.48) ERCC5FEN1MMP9FOLH1ALDH1A1
SCHEMBL29527715 0.83 NAALAD2 (0.48) ERCC5FEN1MMP9FOLH1ALDH1A1
SCHEMBL3901461 0.82 ALDH1A1 (0.43) ERCC5FEN1TLR2FOLH1ALDH1A1
SCHEMBL3901457 0.82 ALDH1A1 (0.43) ERCC5FEN1TLR2FOLH1ALDH1A1
SCHEMBL25365176 0.82 KMT2A (0.51) MMP2MMP9FOLH1ALDH1A1HSD17B10
Methane SCHEMBL28327018 0.82 NAALAD2 (0.47) ERCC5FEN1MMP9FOLH1ALDH1A1
SCHEMBL13750377 0.80 MMP2 (0.51) TLR2MMP2MMP9FOLH1MAPT
SCHEMBL29860289 0.79 TLR2 (0.46) TLR2MMP2MMP9FOLH1ALDH1A1

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
CN-109307761-A A kind of indirect competitive ELISA method detecting chaff propylhomoser 华南农业大学 2019-02-05 CN disclosed