SCHEMBL9843857

SCHEMBL9843857

CCOC(=O)Nc1cc(N2C(=O)CC(C(F)(F)F)CC2=O)c(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.41
ALDH1A1 P00352 2/20 0.38
AR P10275 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9843822 0.79 PSIP1 (0.35) PPOXALDH1A1AR
SCHEMBL8878819 0.74 TSHR (0.36) PPOXALDH1A1HPGDSMN1; SMN2
SCHEMBL8879045 0.74 PPOX (0.35) PPOXALDH1A1
SCHEMBL9220170 0.74 POLB (0.37) PPOXALDH1A1HPGDSMN1; SMN2
SCHEMBL8878084 0.73 SMN1; SMN2 (0.39) PPOXALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL8879992 0.73 HPGD (0.33) PPOXCYP1A2CYP2C19HPGDSMN1; SMN2
SCHEMBL8876677 0.73 EPHX2 (0.36) PPOXALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL7833799 0.72 KMT2A (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19HPGD
SCHEMBL7683943 0.72 NPSR1 (0.40) PPOXSMN1; SMN2
SCHEMBL7683950 0.72 NPSR1 (0.40) PPOXSMN1; SMN2

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-0454444-A1 Glutarimide derivatives and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-10-30 EP disclosed