SCHEMBL8556313

SCHEMBL8556313

C[CH]c1ccc2c(c1)OOCC2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
DYRK1A Q13627 1/20 0.30
DYRK2 Q92630 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
CHRNA4 P43681 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
SCHEMBL95231 0.90 KCNH2 (0.34) CYP3A4ATMDYRK1ADYRK1B
SCHEMBL2544184 0.82 ALDH1A1 (0.46) DYRK1ADYRK2DYRK1BCHRM2CHRM1
SCHEMBL28902687 0.81 CHRM2 (0.43) CYP3A4ATMDYRK1ADYRK2DYRK1B
SCHEMBL8577915 0.76 ALDH1A1 (0.34)
SCHEMBL11521104 0.72 ALDH1A1 (0.43) DYRK1ADYRK1B
SCHEMBL1122453 0.72 MAPT (0.40) DYRK1A
SCHEMBL71411 0.71 OGA (0.35)
SCHEMBL20558808 0.70 DYRK1A (0.57) DYRK1ADYRK2DYRK1B
SCHEMBL1573303 0.68 CHRM2 (0.36) CYP3A4CHRM2CHRM1CHRNB2CHRM3
SCHEMBL25842041 0.68 CHRM2 (0.36) CHRM2CHRM1CHRNB2CHRM3CHRNA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858452-A1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP disclosed
WO-1998004536-A1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-02-05 WO disclosed