SCHEMBL6259358

SCHEMBL6259358

CCNCC(=O)Nc1c(C)cccc1C.Cc1cccc(C)c1NC(=O)CCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
LMNA P02545 6/20 0.51
MAPT P10636 3/20 0.51
SCN3A Q9NY46 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
SCN1A P35498 2/20 0.51
SCN2A Q99250 2/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
MC4R P32245 1/20 0.51
SCN4A P35499 1/20 0.51
MC3R P41968 1/20 0.51
HTR3A P46098 1/20 0.51
SCN5A Q14524 1/20 0.51
SCN9A Q15858 1/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 3/20 0.50

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
SCHEMBL1232491 0.92 MAPT (0.58) ALDH1A1LMNAMAPTSCN3AMEN1
SCHEMBL307790 0.87 MEN1 (0.62) ALDH1A1LMNAMAPTSCN3AMEN1
SCHEMBL30300553 0.84 MEN1 (0.62) ALDH1A1LMNAMAPTSCN3AMEN1
SCHEMBL11148298 0.83 MAPT (0.55) ALDH1A1LMNAMAPTSCN3AMEN1
SCHEMBL6570220 0.81 KMT2A (0.56) ALDH1A1LMNAMAPTSCN3AMEN1
SCHEMBL11872043 0.80 GAA (0.64) ALDH1A1LMNAMAPTSCN3AMEN1
SCHEMBL25224075 0.80 MEN1 (0.54) ALDH1A1LMNAMAPTSCN3AMEN1
SCHEMBL30323772 0.80 POLB (0.61) ALDH1A1LMNAMAPTSCN3AMEN1
SCHEMBL6546027 0.80 POLB (0.61) ALDH1A1LMNAMAPTSCN3AMEN1
SCHEMBL11873259 0.79 GAA (0.58) ALDH1A1LMNAMAPTSCN3AMEN1

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-2005063777-A1 BENZYLPHOSPHATE AND SUBSTITUTED BENZYLPHOSPHATE PRODRUGS FOR THE TREATMENT OF PULMONARY INFLAMMATION CORUS PHARMA (US) 2005-07-14 WO disclosed