SCHEMBL9681478

SCHEMBL9681478

COC(=O)c1ccc2c(c1)C(c1ccc[nH]c1=O)C(O)C(C)(C)O2

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
PDPK1 O15530 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ABCC9 O60706 2/20 0.37
KCNA5 P22460 1/20 0.35

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
SCHEMBL9680959 0.89 ALDH1A1 (0.41) L3MBTL1ABCC9KCNA5
SCHEMBL9193747 0.87 TYK2 (0.36) PDPK1ABCC9
SCHEMBL9680848 0.82 KCNE1 (0.46) L3MBTL1ABCC9
SCHEMBL9682025 0.81 LMNA (0.34) L3MBTL1ABCC9KCNA5
SCHEMBL9680855 0.81 KCNE1 (0.47) ABCC9
SCHEMBL9192059 0.80 KCNE1 (0.43) L3MBTL1ABCC9
SCHEMBL9197134 0.80 ABCC9 (0.38) ALOX5ABCC9KCNA5
SCHEMBL9192434 0.78 KCNA5 (0.39) ALOX5ABCC9KCNA5
SCHEMBL9680937 0.78 ABCC9 (0.40) L3MBTL1ABCC9
SCHEMBL9193528 0.78 ABCB1 (0.52) ABCC9

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-5112839-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-05-12 US disclosed
EP-0406656-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-01-09 EP disclosed