SCHEMBL23923225

SCHEMBL23923225

O=C(N[C@@H](COCCOCc1ccccc1)C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.55
PPARG P37231 5/20 0.52
PPARA Q07869 3/20 0.52
MME P08473 1/20 0.49
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
GPR132 Q9UNW8 1/20 0.43
SLC1A1 P43005 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTSS P25774 1/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL23922997 0.83 FOLH1 (0.50) FOLH1PPARGPPARAMMEMMP9
SCHEMBL21837541 0.82 PPARA (0.58) FOLH1PPARGPPARASMN1; SMN2CTSS
SCHEMBL21837546 0.82 PPARA (0.58) FOLH1PPARGPPARASMN1; SMN2CTSS
SCHEMBL20637864 0.81 FOLH1 (0.63) FOLH1PPARGPPARAMMESMN1; SMN2
SCHEMBL18127216 0.81 FOLH1 (0.63) FOLH1PPARGPPARAMMESMN1; SMN2
SCHEMBL16418003 0.81 FOLH1 (0.63) FOLH1PPARGPPARAMMESMN1; SMN2
SCHEMBL18555446 0.78 FOLH1 (0.55) FOLH1PPARGPPARAMMEMMP9
SCHEMBL20899650 0.77 PPARA (0.82) FOLH1PPARGPPARAMMERAB9A
SCHEMBL846602 0.77 MME (0.59) MMEGPR132
SCHEMBL1942200 0.77 FOLH1 (0.64) FOLH1PPARGPPARAMMEMMP9

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-3896056-A1 AMINO ACID HAVING FUNCTIONAL GROUP CAPABLE OF INTERMOLECULAR HYDROGEN BONDING, PEPTIDE COMPOUND CONTAINING SAME AND METHOD FOR PRODUCTION THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-10-20 EP disclosed