SCHEMBL9857264

SCHEMBL9857264

CCC(=O)c1c(C)cc(C)cc1C.CCCC(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP3A4 P08684 1/20 0.42
PTGS1 P23219 1/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 6/20 0.41
FASN P49327 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 3/20 0.41
THRB P10828 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
THRA P10827 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.40

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
SCHEMBL7865769 0.94 ALDH1A1 (0.45) MEN1KMT2AALDH1A1FASNMAPT
SCHEMBL11210247 0.90 MEN1 (0.50) MEN1KMT2ACYP3A4PTGS1DRD3
SCHEMBL10751402 0.83 FASN (0.51) MEN1KMT2ACYP3A4PTGS1DRD3
SCHEMBL5885909 0.78 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL15135859 0.78 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL9598950 0.76 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL5997078 0.76 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL8215067 0.76 KMT2A (0.55) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL28155500 0.75 CYP3A4 (0.65) MEN1KMT2ACYP3A4PTGS1DRD3
SCHEMBL11053483 0.74 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTMAPK1

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-0426846-A1 FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-15 EP disclosed