SCHEMBL7181838

SCHEMBL7181838

CC(C)CC(=O)Oc1ccccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
MAPK1 P28482 3/20 0.49
HTT P42858 2/20 0.49
USP2 O75604 1/20 0.49
MAPT P10636 1/20 0.49
KDM4E B2RXH2 7/20 0.48
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FABP3 P05413 2/20 0.47
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
SLC25A5 P05141 1/20 0.46
ALOX15 P16050 1/20 0.45
ADRB2 P07550 1/20 0.44
RXRA P19793 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
SCHEMBL28731467 0.85 ALOX15 (0.46) LMNAMAPK1HTTUSP2MAPT
SCHEMBL16756208 0.84 ALOX15 (0.59) LMNAHTTMAPTKDM4EALDH1A1
SCHEMBL2058257 0.83 KDM4E (0.53) LMNAMAPK1HTTUSP2MAPT
Methylamine SCHEMBL27841050 0.80 L3MBTL1 (0.47) LMNAMAPK1HTTUSP2MAPT
SCHEMBL34470443 0.80 KDM4E (0.53) LMNAMAPK1HTTUSP2MAPT
SCHEMBL2390126 0.80 KDM4E (0.53) LMNAMAPK1HTTUSP2MAPT
SCHEMBL7180832 0.80 L3MBTL1 (0.51) LMNAMAPK1HTTUSP2MAPT
SCHEMBL16050239 0.80 KDM4E (0.50) LMNAMAPK1HTTUSP2MAPT
SCHEMBL23518659 0.79 FABP3 (0.49) LMNAMAPK1HTTUSP2MAPT
SCHEMBL11223694 0.79 L3MBTL1 (0.50) LMNAMAPK1HTTUSP2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1305324-A1 USE OF CHIRAL DIPHOSPHINES AS OPTICALLY ACTIVE LIGANDS PPG-Sipsy (FR) 2003-05-02 EP disclosed
WO-2002012253-A1 USE OF CHIRAL DIPHOSPHINES AS OPTICALLY ACTIVE LIGANDS PPG-SIPSY (FR) 2002-02-14 WO disclosed