SCHEMBL28301911

SCHEMBL28301911

CCCCCCCCCCCC(NNC(=O)c1ccccc1O)NNC(=O)c1ccccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.59
CA1 P00915 2/20 0.48
CA9 Q16790 2/20 0.48
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CNR2 P34972 1/20 0.45
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43

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
SCHEMBL13892898 0.85 NAAA (0.61) NAAACA1CA9KDM4ELMNA
SCHEMBL11768734 0.82 NAAA (0.58) NAAACA1CA9KDM4ELMNA
SCHEMBL6636469 0.78 NAAA (0.73) NAAACA1CA9
SCHEMBL6633461 0.77 NAAA (0.62) NAAACA1CA9GAAPOLB
SCHEMBL13990402 0.77 NAAA (0.62) NAAACA1CA9GAAPOLB
SCHEMBL11315978 0.77 NAAA (0.62) NAAACA1CA9GAAPOLB
SCHEMBL4608702 0.77 NAAA (0.58) NAAAKDM4ELMNAALDH1A1TSHR
SCHEMBL5391442 0.77 NAAA (0.58) NAAAKDM4ELMNAALDH1A1TSHR
SCHEMBL4586238 0.77 NAAA (0.58) NAAAKDM4ELMNAALDH1A1TSHR
SCHEMBL8934416 0.77 NAAA (0.70) NAAACA1CA9TSHRHTT

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-109935382-A Insulated electric conductor and cable 日立金属株式会社 2019-06-25 CN disclosed