SCHEMBL8318100

SCHEMBL8318100

O=C1CC(CF)(CF)Oc2cc(Cl)c(Cl)cc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.33
KDM4E B2RXH2 7/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 2/20 0.32
RAD52 P43351 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PGR P06401 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
KLK7 P49862 1/20 0.30

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
SCHEMBL2317910 0.81 MAOB (0.44) MAOBKDM4EALDH1A1CNR1CNR2
SCHEMBL2317603 0.76 MAOB (0.45) MAOBKDM4EALDH1A1SMN1; SMN2
SCHEMBL2318443 0.76 HSD11B1 (0.44) MAOBKDM4EALDH1A1MAPTATM
SCHEMBL30065886 0.75 ALDH1A1 (0.61) MAOBKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL2315432 0.75 HTR2A (0.49) MAOBKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL6559398 0.75 ALDH1A1 (0.57) MAOBKDM4EALDH1A1MAPTCNR1
SCHEMBL2320079 0.73 SIGMAR1 (0.46) MAOBKDM4EALDH1A1ATM
SCHEMBL2321310 0.73 ALDH1A1 (0.40) MAOBKDM4EALDH1A1ATMRAD52
SCHEMBL30953863 0.73 ALDH1A1 (0.40) MAOBKDM4EALDH1A1ATMRAD52
SCHEMBL7039475 0.73 KDM4E (0.43) KDM4EALDH1A1MAPTATMRAD52

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-0632033-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-04-07 EP disclosed
US-5646308-A POTASSIUM CHANNEL ACTIVATORS USED AS ANTIASTHMATICS, ANTIEPILEPTICS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-08 US disclosed
EP-0632033-A1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-01-04 EP disclosed