SCHEMBL9729869

SCHEMBL9729869

COc1ccc2c(c1)CC(CN(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CS2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 16/20 0.38
MTNR1A P48039 2/20 0.36
KCNH2 Q12809 1/20 0.35
METAP1 P53582 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
SCHEMBL9729564 0.76 ALOX5 (0.46) RYR2MTNR1AKCNH2
Hydrochloric Acid SCHEMBL9275186 0.74 METAP1 (0.49) RYR2KCNH2METAP1
SCHEMBL9730758 0.73 RYR2 (0.44) RYR2MTNR1AKCNH2
SCHEMBL9729610 0.71 RYR2 (0.43) RYR2MTNR1AKCNH2
SCHEMBL9729947 0.70 RYR2 (0.44) RYR2KCNH2
SCHEMBL15659860 0.68 L3MBTL1 (0.47)
Formamide SCHEMBL9729568 0.68 RYR2 (0.41) RYR2MTNR1AKCNH2
SCHEMBL9213535 0.67 RYR2 (0.49) RYR2KCNH2
SCHEMBL7975738 0.66 L3MBTL1 (0.37)
SCHEMBL7975735 0.66 L3MBTL1 (0.37)

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
US-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed