SCHEMBL10667607

SCHEMBL10667607

COC(=O)CC(=O)C=Cc1ccccc1OC

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 3/20 0.88
▸ TFEB P19484 1/20 0.66
▸ KDM4E B2RXH2 2/20 0.64
▸ MAPT P10636 4/20 0.59
▸ NPC1 O15118 3/20 0.59
▸ LMNA P02545 3/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ BCHE P06276 1/20 0.59
▸ BACE1 P56817 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ APP P05067 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ LY96 Q9Y6Y9 1/20 0.56
▸ MAOB P27338 3/20 0.55
▸ AR P10275 1/20 0.55
▸ HPGD P15428 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54

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
SCHEMBL10667601 1.00 NFE2L2 (0.88) NFE2L2TFEBKDM4EMAPTNPC1
SCHEMBL5598851 0.94 NFE2L2 (1.00) NFE2L2TFEBKDM4EMAPTNPC1
SCHEMBL5598849 0.94 NFE2L2 (1.00) NFE2L2TFEBKDM4EMAPTNPC1
SCHEMBL10756384 0.88 NFE2L2 (0.78) NFE2L2TFEBKDM4EMAPTNPC1
SCHEMBL7414394 0.88 NFE2L2 (0.88) NFE2L2TFEBKDM4EMAPTNPC1
SCHEMBL7414400 0.88 NFE2L2 (0.88) NFE2L2TFEBKDM4EMAPTNPC1
SCHEMBL10666681 0.87 NFE2L2 (0.89) NFE2L2KDM4EMAPTNPC1LMNA
SCHEMBL10666700 0.87 NFE2L2 (0.89) NFE2L2KDM4EMAPTNPC1LMNA
SCHEMBL11549762 0.86 NFE2L2 (0.74) NFE2L2TFEBKDM4EMAPTNPC1
SCHEMBL11545959 0.85 NFE2L2 (0.72) NFE2L2TFEBKDM4EMAPTNPC1

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
US-4727066-A CARDIOVASCULAR DISORDERS CERMOL S.A. (CH) 1988-02-23 — — US disclosed
US-4656181-A CARDIOTONIC AGENTS CERMOL S.A. (CH) 1987-04-07 — — US disclosed
US-4532248-A Administering 1,4-dihydropyridine derivative exhibiting positive inotropic activity BAYER AKTIENGESELLSCHAFT (DE) 1985-07-30 — — US disclosed
US-3932646-A CORONARY VASODILATORS, HYPOTENSIVE AGENTS FARBENFABRIKEN BAYER AG (DT) 1976-01-13 — — US disclosed
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