SCHEMBL20125036

SCHEMBL20125036

C/C(=C/c1c(C)cccc1F)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
CXCR5 P32302 2/20 0.33
NFE2L2 Q16236 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ERN1 O75460 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KCNH2 Q12809 2/20 0.31
MAT2A P31153 1/20 0.31
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL20124976 0.81 ACHE (0.44) ACHECXCR5NFE2L2SMN1; SMN2ERN1
SCHEMBL18371901 0.81 LMNA (0.47) SMN1; SMN2ALDH1A1KCNH2MAT2ARAB9A
SCHEMBL15506997 0.78 ACHE (0.41) ACHECXCR5NFE2L2SMN1; SMN2ERN1
SCHEMBL19624995 0.74 ACHE (0.42) ACHECXCR5NFE2L2SMN1; SMN2ERN1
SCHEMBL12091400 0.72 ACHE (0.48) ACHENFE2L2SMN1; SMN2ALDH1A1KCNH2
SCHEMBL18677500 0.69 ALDH1A1 (0.45) ACHESMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL1663012 0.69 ACHE (0.48) ACHENFE2L2SMN1; SMN2ERN1ALDH1A1
SCHEMBL28158271 0.69 ACHE (0.48) ACHENFE2L2SMN1; SMN2ALDH1A1KCNH2
SCHEMBL31227003 0.69 ACHE (0.48) ACHENFE2L2SMN1; SMN2ERN1ALDH1A1
SCHEMBL19779833 0.68 ACHE (0.43) ACHENFE2L2SMN1; SMN2ALDH1A1LMNA

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-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed