SCHEMBL23318314

SCHEMBL23318314

CCC(=O)Nc1ccc(OC(=O)NC(C)(C)CCOC(C)(C)CNC(C)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 7/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
OPRK1 P41145 1/20 0.35
GAA P10253 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL23318455 0.80 MTNR1B (0.37) MEN1KMT2ASMN1; SMN2FAAHMTNR1B
SCHEMBL21561029 0.74 RXFP1 (0.37) LIPEMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL21561127 0.73 FAAH (0.40) MEN1KMT2ASMN1; SMN2FAAHALDH1A1
SCHEMBL24489623 0.73 FAAH (0.36) MEN1KMT2AHSD17B10SMN1; SMN2FAAH
SCHEMBL21023276 0.72 RXFP1 (0.36) LIPEMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL20808479 0.71 RXFP1 (0.35) LIPEMEN1KMT2AHSD17B10SMN1; SMN2
SCHEMBL21948654 0.71 FAAH (0.35) MEN1KMT2AHSD17B10SMN1; SMN2FAAH
SCHEMBL9591943 0.69 POLB (0.51) LIPEMEN1KMT2ASMN1; SMN2FAAH
SCHEMBL11022210 0.68 GAA (0.65) MEN1KMT2AHSD17B10SMN1; SMN2MTNR1A
SCHEMBL20694601 0.67 ACACB (0.31)

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-2021087096-A1 P53 MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-05-06 WO disclosed