SCHEMBL9845376

SCHEMBL9845376

CCC1(CC)Oc2ccccc2C(c2ccc(F)cc2)=C1/C=C/C=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
HPGD P15428 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK14 Q16539 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
SCHEMBL9845380 1.00 MAPT (0.33) MAPTPTGS2PTGS1HPGDTDP1
SCHEMBL9845313 0.84 MAPT (0.35) MAPTPTGS2PTGS1HPGDTDP1
SCHEMBL9845315 0.84 MAPT (0.35) MAPTPTGS2PTGS1HPGDTDP1
SCHEMBL9845326 0.84 ESR1 (0.39) MAPTHPGDTDP1KDM4EALDH1A1
SCHEMBL9845329 0.84 ESR1 (0.39) MAPTHPGDTDP1KDM4EALDH1A1
SCHEMBL9845332 0.84 MAPT (0.33) MAPTPTGS2HPGDTDP1KDM4E
SCHEMBL9845339 0.84 MAPT (0.33) MAPTPTGS2HPGDTDP1KDM4E
SCHEMBL9845373 0.76 HMGCR (0.34) MAPTPTGS2HPGDTDP1
SCHEMBL9845364 0.76 HMGCR (0.34) MAPTPTGS2HPGDTDP1
SCHEMBL9845370 0.76 HMGCR (0.34) MAPTPTGS2HPGDTDP1

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