SCHEMBL24633728

SCHEMBL24633728

CN[C@@H](CCC(Cl)Cl)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.34
NAALAD2 Q9Y3Q0 4/20 0.34
RIMKLA Q8IXN7 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS2 P35354 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
GGH Q92820 1/20 0.33
ANPEP P15144 1/20 0.32
ENPEP Q07075 1/20 0.32
TGFBR1 P36897 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL882883 0.79 ALDH1A1 (0.43) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL21635774 0.79 ALDH1A1 (0.43) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL29657364 0.79 ALDH1A1 (0.43) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL27044686 0.79 FOLH1 (0.40) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL21734379 0.77 TGFBR1 (0.35) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL24633945 0.77 FOLH1 (0.34) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL31754331 0.77 FOLH1 (0.34) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL21621515 0.76
SCHEMBL4745785 0.76
SCHEMBL722207 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024101402-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
WO-2023214576-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS 中外製薬株式会社 2023-11-09 WO disclosed
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 WO disclosed