SCHEMBL2772806

SCHEMBL2772806

COc1ccc(-c2c(CC(C)O)oc(=O)c3ccccc23)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ TP53 P04637 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ ABCB1 P08183 3/20 0.44
▸ GLA P06280 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL2771578 0.92 ALDH1A1 (0.41) KDM4EALDH1A1HPGDNPC1CA1
SCHEMBL2772268 0.91 KMT2A (0.44) KDM4EALDH1A1HPGDNPC1CA1
SCHEMBL2771225 0.91 PTGES (0.54) KDM4EHPGDPOLBKMT2AMEN1
SCHEMBL2771320 0.91 PTGES (0.54) KDM4EALDH1A1HPGDNPC1CA1
SCHEMBL2772036 0.91 ALDH1A1 (0.40) KDM4EALDH1A1HPGDNPC1CA1
SCHEMBL2771247 0.90 PDE4A (0.46) KDM4EALDH1A1HPGDNPC1TP53
SCHEMBL2773020 0.90 KMT2A (0.43) KDM4EALDH1A1HPGDNPC1CA1
SCHEMBL2773724 0.90 CYP1A1 (0.46) KDM4EALDH1A1HPGDNPC1TP53
SCHEMBL2771444 0.90 SMPD1 (0.42) KDM4EALDH1A1HPGDNPC1CA1
SCHEMBL2773803 0.90 PDE4A (0.41) KDM4EALDH1A1HPGDNPC1CA1

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
WO-2010076564-A2 ISOCHROMENONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 — — WO disclosed
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