SCHEMBL7116294

SCHEMBL7116294

CC(CCOc1ccccc1Cl)CC(CN)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.42
CACNB3 P54284 1/20 0.42
CACNA1C Q13936 1/20 0.42
PGR P06401 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
CACNA2D2 Q9NY47 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3833181 1.00 CACNA2D1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913968 1.00 CACNA2D1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3120875 0.88 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6896485 0.88 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913766 0.88 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL29139996 0.87 LMNA (0.51) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3118348 0.87 LMNA (0.51) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913728 0.87 LMNA (0.51) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913765 0.86 KDM4E (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6453186 0.86 KDM4E (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117045653-A Diseases and treatments associated with toxic aldehydes 奥尔德拉医疗公司 2023-11-14 CN disclosed
CN-111135171-B Diseases and treatments associated with toxic aldehydes 奥尔德拉医疗公司 2023-09-08 CN disclosed
EP-1469841-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY (US) 2004-10-27 EP disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed
EP-1289558-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY LLC (US) 2003-03-12 EP disclosed
WO-2001091736-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY (US) 2001-12-06 WO disclosed