SCHEMBL4327645

SCHEMBL4327645

CC(C)N(C)C(=O)CCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
ALDH1A1 P00352 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
KEAP1 Q14145 1/20 0.52
ALOX5 P09917 2/20 0.51
MLYCD O95822 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
FFAR1 O14842 1/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL14958585 0.84 KMT2A (0.68) KMT2AMEN1ALDH1A1L3MBTL1HTT
SCHEMBL5053649 0.81 TSHR (0.52) KMT2AMEN1ALOX5NPC1RAB9A
SCHEMBL8728663 0.81 GAA (0.67) KMT2AMEN1ALDH1A1L3MBTL1HTT
SCHEMBL16147201 0.81 GAA (0.67) KMT2AMEN1ALDH1A1L3MBTL1HTT
SCHEMBL8728560 0.81 GAA (0.67) KMT2AMEN1ALDH1A1L3MBTL1HTT
SCHEMBL3366949 0.81 KMT2A (0.70) KMT2AMEN1ALDH1A1L3MBTL1HTT
SCHEMBL15143010 0.80 KMT2A (0.55) KMT2AMEN1ALDH1A1L3MBTL1HTT
SCHEMBL7373738 0.80 KMT2A (0.55) KMT2AMEN1ALDH1A1L3MBTL1HTT
Hydrochloric Acid SCHEMBL3136984 0.79 KMT2A (0.68) KMT2AMEN1ALDH1A1L3MBTL1HTT
Water SCHEMBL3678915 0.79 KMT2A (0.68) KMT2AMEN1ALDH1A1L3MBTL1HTT

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
WO-2009147221-A1 SMALL MOLECULE LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-12-10 WO disclosed