SCHEMBL24130554

SCHEMBL24130554

O=C(NCC(NC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ITGAV P06756 7/20 0.56
GAA P10253 1/20 0.55
ACE P12821 2/20 0.51
FOLH1 Q04609 1/20 0.51
PTPN1 P18031 1/20 0.50
CTSL P07711 4/20 0.49
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
CTSB P07858 1/20 0.49

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
SCHEMBL24130553 1.00 NPC1 (0.57) NPC1RAB9ASMN1; SMN2ITGAVGAA
SCHEMBL3871294 0.85 ITGAV (0.63) NPC1RAB9AITGAV
SCHEMBL4994903 0.84 ITGAV (0.58) NPC1RAB9ASMN1; SMN2ITGAVGAA
SCHEMBL24130633 0.83 GAA (0.53) NPC1RAB9ASMN1; SMN2ITGAVGAA
SCHEMBL24130632 0.83 GAA (0.53) NPC1RAB9ASMN1; SMN2ITGAVGAA
SCHEMBL11575113 0.83 EPHX2 (0.63) NPC1RAB9ASMN1; SMN2GAAACE
SCHEMBL5927271 0.83 TACR1 (0.50) NPC1RAB9ASMN1; SMN2
SCHEMBL5348860 0.82 HDAC1 (0.55) NPC1RAB9ASMN1; SMN2GAACTSL
SCHEMBL2792747 0.81 CA2 (0.66) ACEPTPN1
SCHEMBL9943491 0.81 CA2 (0.66) ACEPTPN1

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
WO-2021256546-A1 METHOD FOR INDUCING ENVIRONMENTAL STRESS TOLERANCE IN PLANTS 味の素株式会社 2021-12-23 WO disclosed