SCHEMBL31448352

SCHEMBL31448352

O=C(O)c1cc(N2C(=O)C3CCCCC3C2=O)c(F)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPOX P50336 8/20 0.61
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
EPHX2 P34913 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 5/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
STAT3 P40763 1/20 0.40
MEN1 O00255 1/20 0.38

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
SCHEMBL9596712 1.00 PPOX (0.61) PPOXKMT2ALMNAEPHX2SMN1; SMN2
SCHEMBL9562879 0.89 PPOX (0.61) PPOXKMT2ALMNASMN1; SMN2NPC1
SCHEMBL11540966 0.84 PPOX (0.72) PPOXKMT2ALMNAALDH1A1CYP1A2
SCHEMBL11543524 0.83 PPOX (0.70) PPOXKMT2ALMNAALDH1A1CYP1A2
SCHEMBL7816420 0.82 PPOX (0.65) PPOXKMT2ALMNASMN1; SMN2NPC1
SCHEMBL31448212 0.79 AR (0.42) PPOXKMT2ALMNAEPHX2SMN1; SMN2
SCHEMBL7686170 0.79 PPOX (0.65) PPOXKMT2ALMNAALDH1A1CYP1A2
SCHEMBL8065411 0.78 PPOX (0.70) PPOXKMT2ALMNAALDH1A1CYP1A2
SCHEMBL3246917 0.78 PPOX (0.75) PPOXKMT2ALMNAALDH1A1CYP1A2
SCHEMBL31448291 0.77 PPOX (0.55) PPOXKMT2ALMNASMN1; SMN2NPC1

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
CN-119613399-A Tetra-substituted benzoate compound containing alkoxy acetate substituent and application thereof 江西天宇化工有限公司 2025-03-14 CN disclosed