SCHEMBL10180792

SCHEMBL10180792

NC(CCC[C@H](N)C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 2/20 0.50
MGLL Q99685 1/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 4/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 1/20 0.48
PPIA P62937 1/20 0.48
LTA4H P09960 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
XBP1 P17861 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX12 P18054 1/20 0.47
GRIK1 P39086 1/20 0.47
SLC1A3 P43003 1/20 0.46

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
SCHEMBL10180793 0.85 MGLL (0.45) MEN1KMT2AALDH1A1MGLLMAPT
SCHEMBL5019122 0.83 MEN1 (0.57) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL13365288 0.83 MEN1 (0.57) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL5019032 0.83 MEN1 (0.57) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL964298 0.81 ALDH1A1 (0.53) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL21880131 0.81 MEN1 (0.59) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL21880132 0.81 MEN1 (0.59) MEN1KMT2AALDH1A1CYP1A2POLB
SCHEMBL19688778 0.78 MGLL (0.76) MEN1KMT2AALDH1A1MGLLSMN1; SMN2
SCHEMBL8553761 0.78 MEN1 (0.58) MEN1KMT2AALDH1A1MGLLCYP1A2
SCHEMBL968952 0.77 HDAC4 (0.60) MGLL

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-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 EP disclosed