SCHEMBL28045720

SCHEMBL28045720

O=C(Cc1ccccc1)N[C@@H](COCc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.63
PPARA Q07869 2/20 0.57
MME P08473 1/20 0.55
PPARG P37231 1/20 0.52
CNR2 P34972 4/20 0.51
S1PR1 P21453 3/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
SLC1A1 P43005 1/20 0.48
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
PSMB8 P28062 1/20 0.47
PSMB5 P28074 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL28045721 1.00 FOLH1 (0.63) FOLH1PPARAMMEPPARGCNR2
SCHEMBL12989752 0.88 FOLH1 (0.63) FOLH1PPARAMMEPPARGS1PR1
SCHEMBL27932795 0.87 FOLH1 (0.61) FOLH1PPARAMMEPPARGS1PR1
SCHEMBL27932798 0.87 FOLH1 (0.61) FOLH1PPARAMMEPPARGS1PR1
SCHEMBL11313609 0.85 FOLH1 (0.60) FOLH1PPARAMMEPPARGS1PR1
SCHEMBL11313605 0.85 FOLH1 (0.60) FOLH1PPARAMMEPPARGS1PR1
SCHEMBL1942200 0.83 FOLH1 (0.64) FOLH1PPARAMMEPPARGSLC1A1
SCHEMBL9831124 0.83 CNR2 (0.55) CNR2ITGB3ITGA2BCTSLCTSB
SCHEMBL9831119 0.83 CNR2 (0.55) CNR2ITGB3ITGA2BCTSLCTSB
SCHEMBL6931337 0.83 FOLH1 (0.64) FOLH1PPARAMMEPPARGSLC1A1

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-105175418-B Pentacyclic indole quinolizine for inhibiting autophagy of cells, synthesis, antitumor activity and application thereof 首都医科大学 2020-01-14 CN disclosed
CN-105175418-A Pentacyclic indole quinolizine inhibiting cell autophagy, synthesis, antitumor activity and application thereof UNIV CAPITAL MEDICAL SCIENCES 2015-12-23 CN disclosed