SCHEMBL27044686

SCHEMBL27044686

CNC(CCC(O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.40
NAALAD2 Q9Y3Q0 4/20 0.40
RIMKLA Q8IXN7 1/20 0.40
GGH Q92820 1/20 0.38
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NOD1 Q9Y239 1/20 0.34
TP53 P04637 1/20 0.33
ANPEP P15144 1/20 0.33
ENPEP Q07075 1/20 0.33

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
SCHEMBL21734379 0.84 TGFBR1 (0.35) FOLH1NAALAD2RIMKLAGGHKDM4E
SCHEMBL180085 0.81 FOLH1 (0.61) FOLH1NAALAD2RIMKLAGGHANPEP
SCHEMBL162037 0.81 FOLH1 (0.61) FOLH1NAALAD2RIMKLAGGHANPEP
SCHEMBL26431299 0.81 KISS1R (0.31) ALDH1A1
SCHEMBL29657364 0.81 ALDH1A1 (0.43) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL162038 0.81 FOLH1 (0.61) FOLH1NAALAD2RIMKLAGGHANPEP
SCHEMBL31599178 0.81 FOLH1 (0.61) FOLH1NAALAD2RIMKLAGGHANPEP
SCHEMBL21635774 0.81 ALDH1A1 (0.43) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL882883 0.81 ALDH1A1 (0.43) FOLH1NAALAD2RIMKLAKDM4EMAPT
SCHEMBL24633728 0.79 FOLH1 (0.34) FOLH1NAALAD2RIMKLAGGHKDM4E

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
EP-4310093-A1 AMINO ACID DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR TREATING HEPATITIS, COMPRISING SAME Prazertherapeutics Inc. (KR) 2024-01-24 EP disclosed