SCHEMBL10607126

SCHEMBL10607126

O=C(O)c1ccccc1C(=O)c1ccccc1N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
POLB P06746 2/20 0.57
KDM4E B2RXH2 1/20 0.57
PTPN1 P18031 2/20 0.55
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
ALOX15 P16050 2/20 0.50
GAA P10253 1/20 0.50
AKR1C3 P42330 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
CDC25B P30305 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
STAT1 P42224 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL28086833 0.93 NPC1 (0.70) NPC1POLBKDM4EPTPN1ALDH1A1
SCHEMBL29467270 0.91 NPC1 (0.68) NPC1POLBKDM4EPTPN1ALDH1A1
SCHEMBL2492855 0.91 NPC1 (0.68) NPC1POLBKDM4EPTPN1ALDH1A1
SCHEMBL227731 0.89 NPC1 (0.71) NPC1POLBKDM4EPTPN1ALDH1A1
SCHEMBL1715918 0.89 NPC1 (0.71) NPC1POLBKDM4EPTPN1ALDH1A1
SCHEMBL28325052 0.86 NPC1 (0.62) NPC1POLBKDM4EPTPN1ALDH1A1
SCHEMBL10684744 0.84 NPC1 (0.65) NPC1POLBKDM4EPTPN1ALDH1A1
SCHEMBL28771676 0.83 NPC1 (0.63) NPC1POLBKDM4EPTPN1ALDH1A1
SCHEMBL8048603 0.83 ALDH1A1 (0.61) NPC1POLBPTPN1ALDH1A1L3MBTL1
SCHEMBL28529587 0.82 LMNA (0.57) NPC1POLBKDM4EALDH1A1L3MBTL1

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
EP-0127203-B1 NEW PHTHALIDE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND RECORDING SYSTEM UTILIZING THE SAME AS COLOURLESS CHROMOGENIC MATERIAL KANZAKI PAPER MANUFACTURING CO., LTD (JP) 1989-06-28 EP disclosed