SCHEMBL24968519

SCHEMBL24968519

CNCC(=O)NCC(=O)NCC(=O)NC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
KDM1A O60341 1/20 0.35
POLB P06746 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
HDAC2 Q92769 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
CACNA1H O95180 1/20 0.31

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
SCHEMBL13596286 0.91 MAPT (0.39) MAPTKDM1APOLBCA1CA2
Hydrochloric Acid SCHEMBL30225271 0.89 MAPT (0.38) MAPTKDM1APOLBCA1CA2
SCHEMBL12556801 0.84 MAPT (0.38) MAPTKDM1APOLBCA1CA2
SCHEMBL25748793 0.83 MAPT (0.35) MAPTKDM1APOLBHDAC2SMN1; SMN2
SCHEMBL25760253 0.83 MAPT (0.35) MAPTKDM1APOLBHDAC2SMN1; SMN2
SCHEMBL21850085 0.78 CA1 (0.34) CA1CA2RECQL
SCHEMBL25869574 0.78 MAPT (0.36) MAPTKDM1APOLBHDAC2SMN1; SMN2
SCHEMBL25748770 0.78 MAPT (0.36) MAPTKDM1APOLBHDAC2SMN1; SMN2
SCHEMBL2757943 0.77 CACNA1H (0.42) MAPTKDM1APOLBHDAC2SMN1; SMN2
SCHEMBL22064537 0.77 CA1 (0.38) CA1CA2ALDH1A1RECQL

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-2023007481-A1 WATER SOLUBLE PRODRUG, CONJUGATES AND USES THEREOF RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2023-02-02 WO disclosed