SCHEMBL7262188

SCHEMBL7262188

Cc1cc(C)cc(COCC(=O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.46
CACNA1F O60840 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
PARP10 Q53GL7 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 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
SCHEMBL7262190 0.87 KMT2A (0.47) TACR1NPC1RAB9AKMT2AMEN1
SCHEMBL657234 0.83 TDP1 (0.55) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6915903 0.80 MRGPRX4 (0.43) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL7928075 0.78 KMT2A (0.53) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL1872900 0.77 TACR1 (0.52) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3599787 0.77 NPC1 (0.58) NPC1RAB9AKMT2AMEN1ALDH1A1
Chloroform SCHEMBL28141196 0.77 NPC1 (0.49) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL10204480 0.77 KMT2A (0.68) TACR1NPC1RAB9AKMT2AMEN1
SCHEMBL864716 0.76 MAPT (0.61) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4689393 0.76 RAB9A (0.56) NPC1RAB9AKMT2AMEN1ALDH1A1

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
US-6657052-B1 Labeling DNA or RNA at a specific site consisting of stable precursor, and only becomes reactive upon activation; alkylating only phosphodiester groups; lactonization reaction traps the trialkylphosphate in a stable form. UNIVERSITY OF ARKANSAS 2003-12-02 US disclosed