SCHEMBL30469352

SCHEMBL30469352

C[C@@H](Oc1ccc(Oc2ccc3cc(Cl)ccc3n2)cc1)C(=O)Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
CYP1A2 P05177 2/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
NFKB1 P19838 1/20 0.56
HIF1A Q16665 1/20 0.56
GMNN O75496 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
APEX1 P27695 1/20 0.56
PMP22 Q01453 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACACB O00763 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL10414560 1.00 MAPT (0.56) MAPTCYP1A2LMNATP53CYP3A4
SCHEMBL9587966 0.90 CYP1A2 (0.56) MAPTCYP1A2LMNATP53CYP3A4
SCHEMBL11114198 0.90 MAPT (0.56) MAPTCYP1A2LMNATP53CYP3A4
SCHEMBL27259282 0.90 CYP1A2 (0.56) MAPTCYP1A2LMNATP53CYP3A4
Potassium Ion SCHEMBL10913562 0.88 MAPT (0.69) MAPTCYP1A2LMNATP53CYP3A4
SCHEMBL7610992 0.88 MAPT (0.56) MAPTCYP1A2LMNATP53CYP3A4
SCHEMBL9587752 0.87 MAPT (0.45) MAPTCYP1A2LMNATP53CYP3A4
SCHEMBL10946599 0.86 MAPT (0.47) MAPTCYP1A2LMNATP53CYP3A4
SCHEMBL8508876 0.86 MAPT (0.53) MAPTCYP1A2LMNATP53CYP3A4
SCHEMBL10986711 0.83 MAPT (0.53) MAPTCYP1A2LMNATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283802-A Herbicidal compound containing (R) -2- [4- (6-chloroquinolin-2-yloxy) phenoxy ] propionyl structure, and preparation and application thereof 中国农业大学 2023-06-23 CN claimed
CN-116283802-A Herbicidal compound containing (R) -2- [4- (6-chloroquinolin-2-yloxy) phenoxy ] propionyl structure, and preparation and application thereof 中国农业大学 2023-06-23 CN disclosed