SCHEMBL8994468

SCHEMBL8994468

CC1(C(=O)OCn2c(-c3ccc(Cl)cc3)c(C#N)c(Br)c2C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
KMT2A Q03164 3/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.32
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
CRHR2 Q13324 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8994408 0.86 OPRM1 (0.38) LMNAHTT
SCHEMBL9035868 0.85 ALDH1A1 (0.38) RXFP1ALDH1A1KDM4EGRIA2GRIA4
SCHEMBL8994464 0.83 L3MBTL1 (0.34) RXFP1ALDH1A1KDM4EGRIA2GRIA4
SCHEMBL5819212 0.81 KDM4E (0.34) RXFP1ALDH1A1KDM4EGRIA2GRIA4
SCHEMBL8994395 0.81 ALDH1A1 (0.33) RXFP1ALDH1A1KMT2AHPGDMEN1
Chlorfenapyr SCHEMBL28508419 0.80 RXFP1 (0.36) RXFP1ALDH1A1KDM4EGRIA2GRIA4
Chlorfenapyr SCHEMBL40337 0.79 RXFP1 (0.35) RXFP1ALDH1A1KDM4EGRIA2GRIA4
SCHEMBL9017343 0.79 KMT2A (0.44) RXFP1ALDH1A1KDM4EKMT2AHPGD
SCHEMBL8994487 0.79 POLB (0.36) RXFP1ALDH1A1KDM4EGRIA2GRIA4
SCHEMBL9036109 0.79 TP53 (0.37) RXFP1ALDH1A1KDM4EGRIA2GRIA4

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 3 patents. 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
EP-0594941-A1 N-substituted carbonyoxyalkylpyrrole insecticidal, acaricidal and molluscicidal agents AMERICAN CYANAMID COMPANY (US) 1994-05-04 EP claimed
US-5232980-A Insecticides, miticides, molluscicides AMERICAN CYANAMID COMPANY (US) 1993-08-03 US claimed