SCHEMBL8617099

SCHEMBL8617099

CC(=O)Oc1cc(CBr)ccc1C(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
MAPK1 P28482 3/20 0.65
CFD P00746 2/20 0.52
ELANE P08246 3/20 0.49
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
ESR1 P03372 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
TSHR P16473 1/20 0.44
GGT1 P19440 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
BLM P54132 1/20 0.44
NAPRT Q6XQN6 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
SCHEMBL18928203 0.89 CFD (0.64) MAPTMAPK1CFDELANECES2
SCHEMBL16721009 0.86 MAPT (0.65) MAPTMAPK1CFDELANEKDM4E
SCHEMBL6403165 0.85 CFD (0.62) MAPTMAPK1CFDKDM4EHSD17B10
SCHEMBL18917640 0.80 NPC1 (0.61) MAPTMAPK1CFDELANEKDM4E
SCHEMBL8003987 0.79 CFD (0.48) MAPTCFDKDM4EHSD17B10HPGD
SCHEMBL31343490 0.79 CFD (0.48) MAPTCFDKDM4EHSD17B10HPGD
SCHEMBL27850225 0.79 MAPT (0.72) MAPTMAPK1ELANEKDM4EHSD17B10
SCHEMBL8615994 0.79 MAPT (0.72) MAPTMAPK1ELANEKDM4EHSD17B10
SCHEMBL27489237 0.78 BACE1 (0.51) CFDKDM4EHSD17B10HPGDALDH1A1
SCHEMBL7658382 0.78 CFD (0.56) CFDKDM4EALDH1A1TSHRPTGS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719303-A USEFUL FOR MEDICALLY TREATING HYPERLIPEMIA EISAI CO., LTD. (JP) 1998-02-17 US disclosed
EP-0688325-A1 PHOSPHONIC ACID DERIVATIVES Eisai Co., Ltd. (JP) 1995-12-27 EP disclosed
WO-1994020508-A1 PHOSPHONIC ACID DERIVATIVES EISAI CO., LTD. (JP) 1994-09-15 WO disclosed