SCHEMBL8879568

SCHEMBL8879568

CCCOC(=O)c1cc(N)c(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTR3A P46098 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
MAOA P21397 1/20 0.45
HTR2C P28335 1/20 0.45
CHRNA4 P43681 1/20 0.45
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
GAA P10253 2/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL4681116 0.88 CA1 (0.51) CYP1A2CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL30508547 0.88 CA1 (0.51) CYP1A2CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL9248670 0.88 CYP1A2 (0.60) CYP1A2CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL30483130 0.85 GAA (0.43) CYP1A2CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL9242997 0.83 CYP1A2 (0.52) CYP1A2CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL29039368 0.82 CA1 (0.51) CYP1A2CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL25286223 0.82 GAA (0.50) CYP1A2CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL30987200 0.82 GAA (0.50) CYP1A2CYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL30483158 0.80 MAPT (0.45) CYP1A2CYP2C19SMN1; SMN2LMNAMAPT
SCHEMBL3528669 0.80 GAA (0.53) CYP1A2CYP2C19ALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5631209-A ALGICIDES ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
US-5502027-A ALGICIDES ROHM AND HAAS COMPANY (US) 1996-03-26 US disclosed
US-5393735-A N-(halo-oxy-)phenyl substituted cyclic imides ROHM AND HAAS COMPANY (US) 1995-02-28 US disclosed
US-5238908-A HERBICIDAL GLUTARAMIC ACIDS AND DERIVATIVES ROHM AND HAAS COMPANY (US) 1993-08-24 US disclosed
CN-1049846-A Glutarimide with weeding activity ROHM & HAAS (US) 1991-03-13 CN disclosed