SCHEMBL8023327

SCHEMBL8023327

CC(=O)NC(CSC[C@H]1C(=O)CC[C@@H]1CO)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ICMT O60725 3/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
AKR1C4 P17516 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMA1 P25786 1/20 0.34

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
SCHEMBL8023334 1.00 MAPT (0.42) MAPTALDH1A1ICMTSLC22A6SMN1; SMN2
SCHEMBL8019971 1.00 MAPT (0.42) MAPTALDH1A1ICMTSLC22A6SMN1; SMN2
SCHEMBL8019628 0.87 MAPT (0.40) MAPTALDH1A1ICMTSLC22A6SMN1; SMN2
SCHEMBL8019607 0.87 MAPT (0.40) MAPTALDH1A1ICMTSLC22A6SMN1; SMN2
SCHEMBL8019620 0.87 MAPT (0.40) MAPTALDH1A1ICMTSLC22A6SMN1; SMN2
SCHEMBL8026507 0.84 MAPT (0.40) MAPTALDH1A1ICMTSLC22A6SMN1; SMN2
SCHEMBL8022039 0.84 MAPT (0.40) MAPTALDH1A1ICMTSLC22A6SMN1; SMN2
SCHEMBL6945874 0.84 MAPT (0.40) MAPTALDH1A1ICMTSLC22A6SMN1; SMN2
SCHEMBL6945871 0.84 MAPT (0.40) MAPTALDH1A1ICMTSLC22A6SMN1; SMN2
SCHEMBL6945876 0.84 MAPT (0.40) MAPTALDH1A1ICMTSLC22A6SMN1; SMN2

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
US-6114364-A 2-((SUBSTITUTED)ALKYL(THIO, SULFONYL, OR SULFOXY)METHYL), 3-(CARBOXYL OR ALIPHATIC HYDROCARBONYL)CYCLOPENTAN-1-ONE DERIVATIVES, EXCEPT CYSTACYCLIN; USE AS NEURON DIFFERENTIATION ACCELERATOR NIPPON KAYAKU CO., LTD. (JP) 2000-09-05 US disclosed
EP-0976709-A1 2,3-DISUBSTITUTED CYCLOPENTANONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF NIPPON KAYAKU CO., LTD. (JP) 2000-02-02 EP disclosed