SCHEMBL8996793

SCHEMBL8996793

COC(=O)c1ccc(C(=O)Cl)cc1.COC(=O)c1ccc(C(=O)NC2CCC(NC(=O)c3ccc(C(=O)OC)cc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 5/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
HPGD P15428 2/20 0.50
EPHX2 P34913 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 2/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
SMYD3 Q9H7B4 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL22640297 0.92 NPC1 (0.59) NPC1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL8659518 0.92 NPC1 (0.59) NPC1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL20194464 0.85 NPC1 (0.68) NPC1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL16583908 0.85 NPC1 (0.63) NPC1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL5483603 0.81 NAMPT (0.51) NPC1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL19543 0.81 CA1 (0.64) NPC1RAB9AKMT2AMEN1HPGD
SCHEMBL23095816 0.81 NPC1 (0.54) NPC1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL17559449 0.78 KMT2A (0.54) KMT2AMEN1EPHX2ALDH1A1MAPT
SCHEMBL2536771 0.77 NPC1 (0.64) NPC1SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL2982858 0.76 SMYD3 (0.62) NPC1SMN1; SMN2RAB9AHPGDEPHX2

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-0724568-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER PLC (GB) 1996-08-07 EP disclosed
WO-1995003275-A1 AMIDO PEROXYCARBOXYLIC ACIDS FOR BLEACHING UNILEVER N.V. (NL) 1995-02-02 WO disclosed