SCHEMBL9230376

SCHEMBL9230376

C[C@@H](NCCOc1ccccc1)C(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 1/20 0.44
CASP3 P42574 1/20 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
SCHEMBL9228418 0.81 MTNR1A (0.45) SMN1; SMN2MEN1HTTKMT2AGAA
SCHEMBL8771866 0.80 NPC1 (0.53) SMN1; SMN2KMT2AALDH1A1MTNR1AMTNR1B
SCHEMBL17675706 0.78 CA12 (0.67) KDM4ESMN1; SMN2MTNR1AMTNR1BL3MBTL1
SCHEMBL7313561 0.78 CTSK (0.47) KDM4ESMN1; SMN2HTTALDH1A1CA12
SCHEMBL6240602 0.78 MTNR1A (0.58) KDM4ESMN1; SMN2MEN1HTTKMT2A
SCHEMBL6240595 0.78 MTNR1A (0.58) KDM4ESMN1; SMN2MEN1HTTKMT2A
SCHEMBL24920672 0.77 CA12 (0.67) SMN1; SMN2MEN1KMT2AGAAMTNR1A
SCHEMBL1022917 0.74 KMT2A (0.47) MEN1HTTKMT2AGAATDP1
SCHEMBL8435204 0.74 MTNR1A (0.48) SIGMAR1MTNR1AMTNR1BCA12CA1
SCHEMBL19189531 0.73 TDP1 (0.58) KDM4ESMN1; SMN2MEN1HTTKMT2A

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
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed