SCHEMBL7867571

SCHEMBL7867571

Cc1csc(CC(C)CO)c1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.34
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL13841336 0.79 DAO (0.34) DAOKDM4C
SCHEMBL3465792 0.76 TAAR1 (0.34)
SCHEMBL12000 0.74
SCHEMBL2038992 0.71
SCHEMBL14049958 0.71 TYR (0.34) DAOKDM4C
SCHEMBL8587485 0.70 FDPS (0.41) DAOKDM4C
SCHEMBL81915 0.68 DAO (0.36) DAOKDM4C
SCHEMBL10848470 0.68 DAO (0.41) DAOKDM4C
SCHEMBL132218 0.68
SCHEMBL9159417 0.67 ALDH1A1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017687-A4 PROCESS OF MAKING 3-ARYLOXY, 4-ARYL FURAN-2-ONES USEFUL AS INHIBITORS OF COX-2 MERCK & CO INC (US) 2001-10-31 EP disclosed
US-6140515-A Process of making 3-aryloxy, 4-aryl furan-2-ones useful as inhibitors of COX-2 MERCK & CO., INC. (US) 2000-10-31 US disclosed
EP-1017687-A1 PROCESS OF MAKING 3-ARYLOXY, 4-ARYL FURAN-2-ONES USEFUL AS INHIBITORS OF COX-2 Merck & Co., Inc. (US) 2000-07-12 EP disclosed
WO-1999015513-A1 PROCESS OF MAKING 3-ARYLOXY, 4-ARYL FURAN-2-ONES USEFUL AS INHIBITORS OF COX-2 MERCK & CO., INC. (US) 1999-04-01 WO disclosed