SCHEMBL8992247

SCHEMBL8992247

CC(=O)CC(C=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 4/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.38
KIF11 P52732 3/20 0.37
KCNN4 O15554 1/20 0.37
CYP1A2 P05177 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL10440059 0.81 CYP2C19 (0.43) CYP2C19HIF1AALDH1A1MAPTKMT2A
SCHEMBL11680540 0.79 MAPK1 (0.47) CYP2C19HIF1AALDH1A1MAPTKMT2A
SCHEMBL342226 0.75 ALDH1A1 (0.38) CYP2C19HIF1AALDH1A1MAPTKMT2A
SCHEMBL14980287 0.75 CYP2C19 (0.52) CYP2C19HIF1AALDH1A1MAPTKMT2A
SCHEMBL1148767 0.75 KCNN4 (0.40) CYP2C19HIF1AALDH1A1MAPTKMT2A
SCHEMBL1850 0.74 CYP2C19 (0.55) CYP2C19HIF1AALDH1A1MAPTKMT2A
SCHEMBL28221517 0.74 HIF1A (0.50) CYP2C19HIF1AALDH1A1MAPTKMT2A
SCHEMBL22905192 0.74 CYP2C19 (0.50) CYP2C19HIF1AALDH1A1MAPTKMT2A
SCHEMBL30992189 0.72 CYP2C19 (0.48) CYP2C19HIF1AALDH1A1MAPTKMT2A
SCHEMBL28194983 0.72 GAA (0.38) CYP2C19HIF1AALDH1A1MAPTKMT2A

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
EP-0445749-B1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 1996-07-10 EP disclosed
US-5256824-A Anticholinergic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
EP-0445749-A1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-11 EP disclosed