SCHEMBL9845313

SCHEMBL9845313

CC1(C)Oc2ccccc2C(c2ccc(F)cc2)=C1/C=C/C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PGR P06401 2/20 0.33
NR3C2 P08235 2/20 0.33
NR3C1 P04150 1/20 0.33
PTGS2 P35354 7/20 0.32
MAPK14 Q16539 1/20 0.32
PTGS1 P23219 3/20 0.32
STK17B O94768 1/20 0.32
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
HASPIN Q8TF76 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL9845315 1.00 MAPT (0.35) MAPTHPGDALDH1A1TDP1KDM4E
SCHEMBL9845380 0.84 MAPT (0.33) MAPTHPGDALDH1A1TDP1KDM4E
SCHEMBL9845376 0.84 MAPT (0.33) MAPTHPGDALDH1A1TDP1KDM4E
SCHEMBL9845344 0.83 ESR1 (0.40) MAPTHPGDALDH1A1TDP1KDM4E
SCHEMBL9845347 0.83 ESR1 (0.40) MAPTHPGDALDH1A1TDP1KDM4E
SCHEMBL9845379 0.81 MAPT (0.34) MAPTHPGDALDH1A1TDP1KDM4E
SCHEMBL9845374 0.81 MAPT (0.34) MAPTHPGDALDH1A1TDP1KDM4E
SCHEMBL10409056 0.75 MAPK14 (0.32) MAPTHPGDALDH1A1PTGS2MAPK14
SCHEMBL9845362 0.74 HMGCR (0.49) PGRPTGS2
SCHEMBL9845366 0.74 HMGCR (0.35) MAPTHPGDALDH1A1TDP1KDM4E

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-0420266-A2 Chromene or thiochromene derivatives, process for preparing the same, intermediate therefor, pharmaceutical compositions containing said derivatives and the use of said derivatives TANABE SEIYAKU CO., LTD. (JP) 1991-04-03 EP disclosed