SCHEMBL8518455

SCHEMBL8518455

CCCCCCCCCCCCCCCCCCNC(=O)C(=O)NCCCc1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.58
ALOX12 P18054 1/20 0.52
BID P55957 3/20 0.51
MCL1 Q07820 3/20 0.51
BCL2L1 Q07817 2/20 0.51
BAK1 Q16611 2/20 0.51
KAT8 Q9H7Z6 2/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
EP300 Q09472 1/20 0.51
KAT2A Q92830 1/20 0.51
KAT2B Q92831 1/20 0.51
KAT5 Q92993 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
MPO P05164 1/20 0.50
SLC6A4 P31645 1/20 0.50
NAMPT P43490 2/20 0.49
EPHX1 P07099 3/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL27527714 0.84 HPGD (0.65) NAAA
SCHEMBL2001669 0.84 HPGD (0.65) NAAA
Bicarbonate SCHEMBL9170233 0.81 BID (0.69) BIDMCL1BCL2L1BAK1KAT8
Bicarbonate SCHEMBL9175297 0.81 BID (0.69) BIDMCL1BCL2L1BAK1KAT8
Bicarbonate SCHEMBL4863706 0.81 BID (0.69) BIDMCL1BCL2L1BAK1KAT8
Oxygen SCHEMBL28954351 0.81 BID (0.63) BIDMCL1BCL2L1BAK1KAT8
Oxygen SCHEMBL28606196 0.81 BID (0.63) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL12980401 0.81 NAAA (0.60) NAAAEPHX1ALDH1A1HTT
SCHEMBL10038330 0.81 NAAA (0.60) NAAAEPHX1ALDH1A1HTT
SCHEMBL9321974 0.81 LIPG (0.63) BIDMCL1BCL2L1BAK1KAT8

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-6004899-A SURFACE TREATED WITH SILANE, TITANATE, AND/OR ALUMINUM COUPLING AGENT; PIGMENT; ERASIBILITY MITSUBISHI PAPER MILLS LIMITED (JP) 1999-12-21 US disclosed