SCHEMBL29838906

SCHEMBL29838906

CC(C(=O)O)N(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ATM Q13315 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CTSK P43235 4/20 0.45
LMNA P02545 2/20 0.45
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CTSS P25774 2/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A1 P43005 1/20 0.44
ELANE P08246 1/20 0.44
TSHR P16473 1/20 0.44
CTRB1 P17538 2/20 0.44

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
SCHEMBL18343680 0.89 SMN1; SMN2 (0.51) SMN1; SMN2ATMALDH1A1GAACTSK
SCHEMBL7357959 0.82 CTRB1 (0.52) SMN1; SMN2ALDH1A1CTSKLMNACTSL
SCHEMBL14291825 0.80 ABCB1 (0.46) SMN1; SMN2ATMALDH1A1NPC1RAB9A
SCHEMBL8043863 0.79 ALDH1A1 (0.53) SMN1; SMN2ATMALDH1A1NPC1RAB9A
SCHEMBL14321670 0.78 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1NPC1RAB9ACTSK
SCHEMBL14321671 0.78 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1NPC1RAB9ACTSK
SCHEMBL381080 0.78 ABCB1 (0.53) ALDH1A1CTSKLMNACTSLCTSB
SCHEMBL7404261 0.78 ABCB1 (0.53) ALDH1A1CTSKLMNACTSLCTSB
SCHEMBL381082 0.78 ABCB1 (0.53) ALDH1A1CTSKLMNACTSLCTSB
SCHEMBL11868898 0.78 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1GAANPC1RAB9A

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-2022191338-A1 LEVODOPA-PRODRUGS AND CARBIDOPA-PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2022-09-15 WO disclosed