SCHEMBL8315228

SCHEMBL8315228

CC(CC(Cc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.68
▸ SLC1A3 P43003 1/20 0.64
▸ SLC1A2 P43004 1/20 0.64
▸ SLC1A1 P43005 1/20 0.64
▸ MME P08473 7/20 0.61
▸ ACE P12821 7/20 0.61
▸ CPA3 P15088 3/20 0.59
▸ CPA1 P15085 2/20 0.59
▸ FOLH1 Q04609 2/20 0.59
▸ CPB1 P15086 1/20 0.59
▸ CPB2 Q96IY4 1/20 0.59
▸ NAALAD2 Q9Y3Q0 1/20 0.58
▸ ANPEP P15144 1/20 0.56
▸ RNPEP Q9H4A4 1/20 0.56
▸ DNPEP Q9ULA0 1/20 0.56

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
SCHEMBL18327097 0.89 CYP1A2 (0.63) CYP1A2SLC1A3SLC1A2SLC1A1MME
SCHEMBL7439697 0.88 CYP1A2 (0.86) CYP1A2SLC1A3SLC1A2SLC1A1CPA3
SCHEMBL9622038 0.88 CYP1A2 (0.86) CYP1A2SLC1A3SLC1A2SLC1A1CPA3
SCHEMBL7432418 0.88 CYP1A2 (0.86) CYP1A2SLC1A3SLC1A2SLC1A1CPA3
SCHEMBL3928753 0.87 CYP1A2 (0.70) CYP1A2SLC1A3SLC1A2SLC1A1MME
SCHEMBL12494703 0.85 CYP1A2 (0.68) CYP1A2SLC1A3SLC1A2SLC1A1MME
SCHEMBL12494839 0.85 CYP1A2 (0.68) CYP1A2SLC1A3SLC1A2SLC1A1MME
SCHEMBL5054321 0.84 CYP1A2 (0.66) CYP1A2SLC1A3SLC1A2SLC1A1MME
SCHEMBL17171334 0.83 CYP1A2 (0.53) CYP1A2MMEACE
SCHEMBL11210664 0.83 CYP1A2 (0.53) CYP1A2MMEACE

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57032380-A — — None — — JP disclosed
CN-101572187-B Preparation method of electrolyte of medium-high voltage aluminum electrolytic capacitor SHENZHEN CAPCHEM TECHNOLOGY CO LTD 2011-07-20 — — CN disclosed
CN-101572187-A Electrolyte of medium-high voltage aluminum electrolytic capacitor and preparation method of solute thereof SHENZHEN CAPCHEM TECHNOLOGY CO (CN) 2009-11-04 — — CN disclosed
EP-0351856-B1 Thiazolo[5,4-b]azepine compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-09-15 — — EP disclosed
US-5300639-A 2-oxo-3-carbonylamino-substituted azepine intermediates; lipoperoxide formation inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-05 — — US disclosed
US-5118806-A Enzyme inhibitor for lipoxygenase; useful for treating cancer, hepatic diseases, inflammation, cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-02 — — US disclosed
US-4956360-A LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-09-11 — — US disclosed
JP-S5732380-A ANTICORROSIVE COMPOSITION YUSHIRO DO BRAZIL IND CHEM LTD 1982-02-22 — — JP disclosed
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