SCHEMBL7784887

SCHEMBL7784887

CC(=O)c1ccc2[c]cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2A6 P11509 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
S100A4 P26447 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA5A P35218 1/20 0.36
PKM P14618 1/20 0.36
PRKCI P41743 1/20 0.35

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
SCHEMBL7793687 0.86 MAPT (0.50) MAPTHPGDALDH1A1CYP2A6NPC1
SCHEMBL5652182 0.84 PTPN1 (0.47) MAPTHPGDALDH1A1NPC1RAB9A
SCHEMBL5748306 0.82 LCK (0.46) MAPTALDH1A1SMN1; SMN2CES2CES1
SCHEMBL28141360 0.81 PLK1 (0.51) HPGDSMN1; SMN2
SCHEMBL18936010 0.81 ALOX15 (0.51) MAPTHPGDALDH1A1KMT2AMEN1
SCHEMBL11203410 0.78 KMT2A (0.47) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL7306683 0.76 HPGD (0.47) MAPTHPGDALDH1A1CYP2A6NPC1
SCHEMBL26694326 0.75 CYP2A6 (0.44) MAPTHPGDALDH1A1CYP2A6NPC1
SCHEMBL28141459 0.75 L3MBTL1 (0.37) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL43058 0.72 ALDH1A1 (0.71) MAPTHPGDALDH1A1CYP2A6NPC1

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-1155698-A1 ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES Nitto Kasei Co., Ltd. (JP) 2001-11-21 EP disclosed