SCHEMBL29964946

SCHEMBL29964946

NC(=O)CC[C@H](NCCNCCNCCC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.42
RIMKLA Q8IXN7 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
GGT1 P19440 1/20 0.39
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
GGH Q92820 1/20 0.37
NOD1 Q9Y239 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GNPAT O15228 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
SCHEMBL20511491 0.87 GGT1 (0.50) FOLH1RIMKLANAALAD2KMT2AALOX15
SCHEMBL149082 0.82 KMT2A (0.48) FOLH1RIMKLANAALAD2KMT2AALOX15
SCHEMBL29964294 0.81 FOLH1 (0.53) FOLH1RIMKLANAALAD2ALOX15GGT1
SCHEMBL8769194 0.80 FOLH1 (0.61) FOLH1RIMKLANAALAD2GGT1GGH
SCHEMBL8768068 0.80 FOLH1 (0.61) FOLH1RIMKLANAALAD2GGT1GGH
SCHEMBL141783 0.80 FOLH1 (0.61) FOLH1RIMKLANAALAD2GGT1GGH
SCHEMBL29356795 0.80 FOLH1 (0.61) FOLH1RIMKLANAALAD2GGT1GGH
SCHEMBL5014954 0.79 FOLH1 (0.52) FOLH1RIMKLANAALAD2GGT1GGH
SCHEMBL5022754 0.79 FOLH1 (0.38) FOLH1RIMKLANAALAD2GGT1CA2
SCHEMBL22042 0.79 KMT2A (0.45) FOLH1RIMKLANAALAD2KMT2AALOX15

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
CN-113616815-B pH responsive T 1 /T 2 Switching type MRI contrast agent and preparation method and application thereof 中国科学院苏州纳米技术与纳米仿生研究所 2022-11-22 CN claimed
CN-113616815-B pH responsive T 1 /T 2 Switching type MRI contrast agent and preparation method and application thereof 中国科学院苏州纳米技术与纳米仿生研究所 2022-11-22 CN disclosed