SCHEMBL9845386

SCHEMBL9845386

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.38
KIF11 P52732 1/20 0.38
DRD2 P14416 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
KCNN4 O15554 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 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
SCHEMBL28810886 0.84 CYP2C19 (0.59) CYP2C19HIF1AMAPTKMT2AKIF11
SCHEMBL1604732 0.80 CYP2C19 (0.59) CYP2C19HIF1AMAPTKMT2AKIF11
SCHEMBL2170468 0.76 KCNN4 (0.48) CYP2C19HIF1AKCNN4CYP1A2ALDH1A1
SCHEMBL9845388 0.76 CYP2C19 (0.39) CYP2C19HIF1AKIF11DRD2OPRM1
SCHEMBL1537402 0.76 CYP2C19 (0.53) CYP2C19HIF1AMAPTKMT2AKIF11
SCHEMBL9409973 0.75 CYP2C19 (0.47) CYP2C19HIF1AMAPTKMT2AKIF11
SCHEMBL11074278 0.74 CYP2C19 (0.43) CYP2C19HIF1AMAPTKMT2AKIF11
SCHEMBL27649423 0.74 KCNN4 (0.46) CYP2C19HIF1AKCNN4CYP1A2ALDH1A1
SCHEMBL8483276 0.73 HIF1A (0.46) CYP2C19HIF1AMAPTKMT2AKIF11
SCHEMBL1011933 0.73 KCNN4 (0.41) CYP2C19HIF1AMAPTKMT2AKIF11

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