SCHEMBL9323735

SCHEMBL9323735

COC(C)OCOc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
APP P05067 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LTA4H P09960 1/20 0.36
PTGS2 P35354 1/20 0.36
MAOB P27338 1/20 0.36
TDP1 Q9NUW8 2/20 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
SCHEMBL9146933 0.81 LTA4H (0.44) APPLTA4HPTGS2
SCHEMBL28456471 0.81 MEN1 (0.39) ALDH1A1MEN1KMT2AAPPDRD2
SCHEMBL4185403 0.81 APP (0.44) APP
SCHEMBL4821478 0.78 MAOA (0.33)
SCHEMBL15514159 0.77 CHRNA7 (0.44) MAPTKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL4991354 0.77 ALDH1A3 (0.49) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL3961420 0.77 MAOB (0.36) KDM4ESMN1; SMN2MEN1KMT2AMAOB
SCHEMBL9267292 0.76 L3MBTL1 (0.54) MAPTALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL1920821 0.76 LDHA (0.47) MAPTKDM4EALDH1A1SMN1; SMN2MAPK1
SCHEMBL590310 0.76 ALDH1A1 (0.44) MAPTKDM4EALDH1A1SMN1; SMN2MAPK1

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-0409234-B1 Alpha-hydroxyketone derivatives, liquid crystal compositions containing said derivatives, and liquid crystal devices using said compositions CHISSO CORP (JP) 1994-02-16 EP disclosed
US-5164112-A Optical activity, ferroelectric, short response times CHISSO CORPORATION (JP) 1992-11-17 US disclosed
EP-0409234-A2 Alpha-hydroxyketone derivatives, liquid crystal compositions containing said derivatives, and liquid crystal devices using said compositions Chisso Corporation (JP) 1991-01-23 EP disclosed