SCHEMBL7414400

SCHEMBL7414400

COc1ccccc1C=CC(=O)CC(=O)O

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 3/20 0.64
▸ MAPT P10636 4/20 0.63
▸ NPC1 O15118 3/20 0.63
▸ LMNA P02545 3/20 0.63
▸ RAB9A P51151 2/20 0.63
▸ BCHE P06276 1/20 0.63
▸ BACE1 P56817 2/20 0.57
▸ APP P05067 1/20 0.57
▸ MAPK1 P28482 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
▸ TRPA1 O75762 1/20 0.56
▸ TRPM8 Q7Z2W7 1/20 0.56
▸ MAOB P27338 3/20 0.55
▸ AR P10275 1/20 0.55
▸ HPGD P15428 4/20 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
SCHEMBL7414394 1.00 NFE2L2 (0.88) NFE2L2TFEBKDM4EMAPTNPC1
SCHEMBL5598851 0.94 NFE2L2 (1.00) NFE2L2TFEBKDM4EMAPTNPC1
SCHEMBL5598849 0.94 NFE2L2 (1.00) NFE2L2TFEBKDM4EMAPTNPC1
SCHEMBL10667607 0.88 NFE2L2 (0.88) NFE2L2TFEBKDM4EMAPTNPC1
SCHEMBL10667601 0.88 NFE2L2 (0.88) NFE2L2TFEBKDM4EMAPTNPC1
SCHEMBL7415412 0.87 NFE2L2 (0.89) NFE2L2KDM4EMAPTNPC1LMNA
SCHEMBL7415405 0.87 NFE2L2 (0.89) NFE2L2KDM4EMAPTNPC1LMNA
SCHEMBL2623834 0.84 NFE2L2 (0.81) NFE2L2TFEBKDM4EMAPTNPC1
SCHEMBL17691543 0.84 NFE2L2 (0.80) NFE2L2TFEBKDM4EMAPTNPC1
SCHEMBL10756384 0.82 NFE2L2 (0.78) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126094-B1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL S.A. (CH) 1990-06-20 — — EP disclosed
EP-0126094-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS. CERMOL SA (CH) 1984-11-28 — — EP disclosed
WO-1984002132-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL SA (CH) 1984-06-07 — — WO disclosed
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