SCHEMBL9620184

SCHEMBL9620184

O=C(O)CCC(=O)Nc1cccc(C=Cc2ccc3ccccc3n2)c1.[Na]

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 11/20 0.60
CYSLTR1 Q9Y271 11/20 0.60
CYP1A2 P05177 1/20 0.52
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.49
PDE10A Q9Y233 2/20 0.49
RHOA P61586 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL9620104 0.99 CYSLTR2 (0.61) CYSLTR2CYSLTR1CYP1A2KDM4ENPC1
SCHEMBL9620100 0.99 CYSLTR2 (0.61) CYSLTR2CYSLTR1CYP1A2KDM4ENPC1
SCHEMBL9620182 0.98 CYSLTR2 (0.60) CYSLTR2CYSLTR1CYP1A2KDM4ENPC1
SCHEMBL9620343 0.88 CYSLTR2 (0.52) CYSLTR2CYSLTR1KDM4ENPC1LMNA
SCHEMBL4715212 0.81 KMT2A (0.51) CYSLTR2CYSLTR1CYP1A2KDM4ENPC1
SCHEMBL4715215 0.81 KMT2A (0.51) CYSLTR2CYSLTR1CYP1A2KDM4ENPC1
SCHEMBL4715210 0.81 KMT2A (0.51) CYSLTR2CYSLTR1CYP1A2KDM4ENPC1
SCHEMBL9620370 0.80 RHOA (0.58) CYSLTR2CYSLTR1KDM4ENPC1LMNA
SCHEMBL9837331 0.78 CYSLTR2 (0.65) CYSLTR2CYSLTR1KDM4ENPC1LMNA
SCHEMBL9837337 0.78 CYSLTR2 (0.65) CYSLTR2CYSLTR1KDM4ENPC1LMNA

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-0228959-B1 AMINOSTYRYL COMPOUND, LEUKOTRIENE ANTAGONISTIC COMPOSITION CONTAINING THE SAME AS EFFECTIVE INGREDIENTS AND METHOD OF ANTAGONIZING SRS BY EMPLOYING THE SAME MITSUBISHI KASEI CORPORATION (JP) 1992-03-18 EP disclosed