SCHEMBL7793687

SCHEMBL7793687

CC(=O)c1ccc2ccc[c]c2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
CYP2A6 P11509 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 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
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA2 P00918 1/20 0.36
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
SCHEMBL7784887 0.86 MAPT (0.50) MAPTALDH1A1HPGDCYP2A6NPC1
SCHEMBL6633670 0.84 MEN1 (0.44) MAPTALDH1A1HPGDNPC1RAB9A
SCHEMBL5748294 0.82 LCK (0.46) MAPTCES2CES1
SCHEMBL27570133 0.75 PLAU (0.56)
SCHEMBL29356637 0.72 ALDH1A1 (0.71) MAPTALDH1A1HPGDCYP2A6NPC1
SCHEMBL30678318 0.72 ALDH1A1 (0.71) MAPTALDH1A1HPGDCYP2A6NPC1
SCHEMBL43058 0.72 ALDH1A1 (0.71) MAPTALDH1A1HPGDCYP2A6NPC1
SCHEMBL834744 0.71 CYP2A6 (0.68) MAPTALDH1A1HPGDCYP2A6NPC1
SCHEMBL1553066 0.71 ALDH1A1 (0.69) MAPTALDH1A1HPGDCYP2A6NPC1
SCHEMBL1090982 0.71 CYP1A2 (0.48) ALDH1A1NPC1RAB9AKMT2AMEN1

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