SCHEMBL9861467

SCHEMBL9861467

CCC(CC)C(=O)Nc1ccccc1.O=C(O)CNCC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
TSHR P16473 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA14 Q9ULX7 1/20 0.51
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 2/20 0.49
ADORA1 P30542 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL4681925 0.90 MEN1 (0.86) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL12335729 0.80 MEN1 (0.71) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16106143 0.80 MEN1 (0.73) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL13150830 0.79 MEN1 (0.69) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
Acetanilide SCHEMBL11221126 0.78 NAPRT (0.73) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL29269293 0.77 MEN1 (0.67) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3923314 0.77 MEN1 (0.89) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11518363 0.76 MEN1 (0.81) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11652739 0.76 MEN1 (0.86) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL20621920 0.76 MEN1 (0.65) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT

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
US-5010191-A Chelated transition metal complexes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-04-23 US disclosed