SCHEMBL9845364

SCHEMBL9845364

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.34
CYP2C9 P11712 3/20 0.34
SIRT6 Q8N6T7 2/20 0.34
ABCC3 O15438 1/20 0.34
ABCB11 O95342 1/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
RXRA P19793 1/20 0.34
TBXA2R P21731 1/20 0.34
CCKAR P32238 1/20 0.34
ADRA1A P35348 1/20 0.34
PTGS2 P35354 1/20 0.34
NR4A2 P43354 1/20 0.34
PDE4D Q08499 1/20 0.34
SLC10A1 Q14973 1/20 0.34
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9845373 1.00 HMGCR (0.34) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9845370 1.00 HMGCR (0.34) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9845366 0.89 HMGCR (0.35) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9845341 0.86 HMGCR (0.47) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9845331 0.86 HMGCR (0.47) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9845338 0.86 HMGCR (0.47) HMGCRCYP2C9SIRT6ABCC3ABCB11
SCHEMBL9845333 0.82 HMGCR (0.51) HMGCRCYP2C9
SCHEMBL9845329 0.80 ESR1 (0.39) MAPTHPGDTDP1
SCHEMBL9845326 0.80 ESR1 (0.39) MAPTHPGDTDP1
SCHEMBL9845410 0.80 HMGCR (0.34) HMGCRCYP2C9SIRT6ABCC3ABCB11

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