SCHEMBL18597279

SCHEMBL18597279

COc1cc2c(c(OC)c1C(=O)/C=C/c1ccc3c(c1)OCO3)C=CC(C)(C)O2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.62
▸ NFKB2 Q00653 1/20 0.62
▸ RELA Q04206 1/20 0.62
▸ MAPT P10636 5/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ ABCG2 Q9UNQ0 1/20 0.55
▸ ODC1 P11926 3/20 0.54
▸ HIF1AN Q9NWT6 3/20 0.54
▸ HIF1A Q16665 1/20 0.52
▸ APP P05067 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ACHE P22303 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HPGD P15428 1/20 0.47

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
SCHEMBL16244791 0.92 HIF1AN (0.60) NFKB1NFKB2RELAMAPTCYP3A4
SCHEMBL16244793 0.92 HIF1AN (0.60) NFKB1NFKB2RELAMAPTCYP3A4
SCHEMBL14325195 0.89 MAPT (0.55) NFKB1NFKB2RELAMAPTCYP3A4
SCHEMBL31376248 0.85 NFKB1 (0.70) NFKB1NFKB2RELAABCG2ODC1
SCHEMBL31376237 0.84 NFKB1 (0.69) NFKB1NFKB2RELAABCG2ODC1
SCHEMBL31376180 0.84 NFKB1 (0.68) NFKB1NFKB2RELAMAPTCYP3A4
SCHEMBL2282019 0.80 MAPT (0.67) MAPTCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31376169 0.79 HIF1AN (0.65) NFKB1NFKB2RELAODC1HIF1AN
Pongapinone A SCHEMBL31237719 0.78 HIF1A (0.58) MAPTCYP3A4HIF1AALDH1A1KDM4E
SCHEMBL31376261 0.78 ODC1 (0.75) NFKB1NFKB2RELAMAPTCYP3A4

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
EP-2720693-B1 CHROMANE-LIKE CYCLIC PRENYLFLAVONOIDS FOR THE MEDICAL INTERVENTION IN NEUROLOGICAL DISORDERS AIGNER LUDWIG (AT) 2017-03-08 — — EP disclosed
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