SCHEMBL28811753

SCHEMBL28811753

COC(=O)c1ccc(C#CC#Cc2ccc(CCl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.51
PTPN11 Q06124 1/20 0.49
CYP4A11 Q02928 2/20 0.47
MAPT P10636 3/20 0.47
CYP4F2 P78329 1/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 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
SCHEMBL200 0.87 LOXL2 (0.66) LOXL2CYP4A11MAPTCYP4F2NPC1
SCHEMBL10412465 0.87 PTPN11 (0.60) LOXL2PTPN11MAPTKDM4EALDH1A1
Phosphine SCHEMBL10705044 0.85 LOXL2 (0.63) LOXL2CYP4A11MAPTCYP4F2NPC1
Alcohol SCHEMBL28967445 0.82 LOXL2 (0.59) LOXL2CYP4A11MAPTCYP4F2NPC1
SCHEMBL9323725 0.82 LOXL2 (0.59) LOXL2CYP4A11MAPTCYP4F2NPC1
SCHEMBL8873885 0.82 LOXL2 (0.59) LOXL2CYP4A11MAPTCYP4F2NPC1
SCHEMBL404435 0.80 TSHR (0.62) PTPN11MAPTNPC1SMN1; SMN2KDM4E
SCHEMBL18712260 0.80 PTPN11 (0.58) LOXL2PTPN11CYP4A11MAPTCYP4F2
SCHEMBL13245214 0.79 PTPN11 (0.50) LOXL2PTPN11CYP4A11MAPTCYP4F2
SCHEMBL3019123 0.79 PTPN11 (0.50) LOXL2PTPN11CYP4A11MAPTNPC1

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
CN-114878542-A Method for simultaneously detecting Cu in mitochondria of cells + And Cu 2+ Surface enhanced Raman spectroscopy probe and preparation and application thereof 华东师范大学 2022-08-09 CN claimed
CN-114878542-A Method for simultaneously detecting Cu in mitochondria of cells + And Cu 2+ Surface enhanced Raman spectroscopy probe and preparation and application thereof 华东师范大学 2022-08-09 CN disclosed