SCHEMBL27585014

SCHEMBL27585014

CC#COc1oc2ccccc2c(=O)c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.52
▸ CA2 P00918 5/20 0.52
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAOA P21397 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PLA2G2A P14555 1/20 0.43
▸ PLA2G4A P47712 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1B1 Q16678 2/20 0.42
▸ ABCB1 P08183 2/20 0.42
▸ DDR2 Q16832 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CALM1 P0DP23 1/20 0.42

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
SCHEMBL1001259 0.81 ABCG2 (0.60) CA1CA2ABCG2ALDH1A1KDM4E
SCHEMBL27585033 0.79 ABCG2 (0.67) CA1CA2ABCG2ALDH1A1KDM4E
SCHEMBL27934332 0.77 CA1 (0.55) CA1CA2ABCG2ALDH1A1KDM4E
SCHEMBL8983907 0.77 CA1 (0.55) CA1CA2ABCG2ALDH1A1KDM4E
SCHEMBL29036841 0.76 KDM4E (0.56) CA1CA2ABCG2ALDH1A1KDM4E
SCHEMBL8983913 0.75 CA1 (0.52) CA1CA2ABCG2ALDH1A1KDM4E
SCHEMBL7046637 0.74 MAOA (0.66) ALDH1A1KDM4ELMNAMAOANPC1
SCHEMBL8984020 0.73 KCNA3 (0.51) CA1CA2ABCG2KDM4EPLA2G2A
SCHEMBL11212 0.72 KDM4E (0.68) CA1CA2ABCG2ALDH1A1KDM4E
SCHEMBL30557665 0.72 CA1 (0.52) CA1CA2ABCG2ALDH1A1KDM4E

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
CN-1371371-A Novel derivatives of flavones, xanthones and coumarins INDENA SPA (IT) 2002-09-25 — — CN disclosed
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