SCHEMBL8994418

SCHEMBL8994418

CC1(C(=O)O)CCCCC1n1c(Cl)c(Cl)c(C#N)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
APEX1 P27695 1/20 0.34
KARS1 Q15046 1/20 0.34
TRPV1 Q8NER1 5/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MGLL Q99685 1/20 0.31
DHODH Q02127 1/20 0.31
MAPT P10636 2/20 0.31
MCHR1 Q99705 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
CNR1 P21554 1/20 0.31
APP P05067 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL8994382 0.80 GRIA2 (0.32) POLBMAPTGRIA2GRIA4
SCHEMBL8994403 0.78 POLB (0.33) POLBMAPTGRIA2GRIA4
SCHEMBL8994415 0.73 ALOX5AP (0.33) MCHR1GRIA2GRIA4APPPSEN1
SCHEMBL8994387 0.72 POLB (0.34) POLBMAPTGRIA2GRIA4PSEN1
SCHEMBL8994389 0.71 ADORA1 (0.34) POLBMAPTGRIA2GRIA4APP
SCHEMBL8994414 0.68 MGLL (0.36) POLBTRPV1MGLLMAPTAPP
SCHEMBL10589580 0.68 KIF11 (0.44) DHODHMAPTGRIA2GRIA4
SCHEMBL10591696 0.68 KIF11 (0.44) DHODHMAPTGRIA2GRIA4
SCHEMBL9057391 0.67 GRIA2 (0.38) GRIA2GRIA4APP
SCHEMBL9423468 0.66 KIF11 (0.38) MGLLDHODHMAPTGRIA2GRIA4

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-0594941-B1 N-substituted carbonyoxyalkylpyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID CO (US) 1996-08-14 EP claimed