SCHEMBL9845388

SCHEMBL9845388

CCC(CC)(CC(O)=S)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 1/20 0.39
KCNN4 O15554 1/20 0.38
ALDH1A1 P00352 4/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ALOX15 P16050 1/20 0.34
GRIN1 Q05586 4/20 0.34
GRIN2A Q12879 4/20 0.34
GRIN2D O15399 3/20 0.34
GRIN2C Q14957 3/20 0.34
GRIN2B Q13224 2/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
KIF11 P52732 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
DRD2 P14416 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 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
SCHEMBL2170468 0.79 KCNN4 (0.48) CYP2C19HIF1AKCNN4ALDH1A1TAAR1
SCHEMBL28810886 0.79 CYP2C19 (0.59) CYP2C19HIF1AKCNN4ALDH1A1GRIN1
SCHEMBL27649423 0.77 KCNN4 (0.46) CYP2C19HIF1AKCNN4ALDH1A1TAAR1
SCHEMBL9845386 0.76 CYP2C19 (0.46) CYP2C19HIF1AKCNN4ALDH1A1GRIN1
SCHEMBL1011933 0.76 KCNN4 (0.41) CYP2C19HIF1AKCNN4ALDH1A1TAAR1
SCHEMBL915727 0.76 KCNN4 (0.41) CYP2C19HIF1AKCNN4ALDH1A1TAAR1
SCHEMBL1604732 0.75 CYP2C19 (0.59) CYP2C19HIF1AKCNN4ALDH1A1GRIN1
SCHEMBL3321479 0.75 MAOA (0.40) CYP2C19HIF1AKCNN4ALDH1A1
SCHEMBL29077389 0.74 TAAR1 (0.52) CYP2C19HIF1AKCNN4ALDH1A1TAAR1
SCHEMBL1537405 0.74 CYP2C19 (0.47) CYP2C19HIF1AKCNN4ALDH1A1TAAR1

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