SCHEMBL28824060

SCHEMBL28824060

CCOP(O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
TDP1 Q9NUW8 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CASP3 P42574 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 2/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.34
CYP2D6 P10635 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL28824092 0.81 GAA (0.37) MAPTTDP1GAAMEN1KMT2A
Alcohol SCHEMBL27290979 0.79 GLA (0.36) TDP1GAAMEN1KMT2ANPSR1
SCHEMBL7778608 0.78 TDP1 (0.36) MAPTTDP1KDM4EGAAMEN1
SCHEMBL911477 0.78 GAA (0.36) MAPTTDP1GAAMEN1KMT2A
SCHEMBL23969688 0.78 EPHX1 (0.40) MEN1KMT2ALMNAL3MBTL1POLB
SCHEMBL13992853 0.78 CA12 (0.44) MAPTTDP1KDM4EGAACYP1A2
SCHEMBL30775608 0.72 L3MBTL1 (0.40) TDP1KDM4EGAAMEN1KMT2A
Alcohol SCHEMBL28041790 0.68 ACHE (0.53) LMNAALDH1A1HTR7ACHE
SCHEMBL16286430 0.67 CYP1A2 (0.42) MAPTTDP1MEN1KMT2ACYP1A2
SCHEMBL8059616 0.66 ORAI1 (0.39) MAPTGAAMEN1KMT2ALMNA

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-114956979-A Catalyst system for synthesizing phenylacetic acid from toluene 中国科学技术大学 2022-08-30 CN disclosed