SCHEMBL22154229

SCHEMBL22154229

CC(=O)OCc1ccc(NC(=O)[C@@H](C)NC(=O)[C@H](N)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LTA4H P09960 1/20 0.43
TPSAB1 Q15661 2/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SPHK1 Q9NYA1 4/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL26351482 1.00 NPC1 (0.48) NPC1RAB9ASMN1; SMN2LTA4HTPSAB1
SCHEMBL24252193 0.90 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2LTA4HTPSAB1
SCHEMBL28948135 0.88 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2LTA4HTPSAB1
SCHEMBL25602956 0.85 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2LTA4HTPSAB1
SCHEMBL27068058 0.85 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2LTA4HTPSAB1
SCHEMBL24279731 0.84 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2LTA4HTPSAB1
SCHEMBL23054325 0.84 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2LTA4HTPSAB1
SCHEMBL23054326 0.84 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2LTA4HTPSAB1
SCHEMBL15382668 0.84 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2LTA4HTPSAB1
SCHEMBL18499692 0.84 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2LTA4HTPSAB1

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-2020125546-A1 CONNECTOR FOR USE IN ANTIBODY MEDICAMENT CONJUGATE AND APPLICATIONS OF CONNECTOR 荣昌生物制药(烟台)有限公司 2020-06-25 WO disclosed