SCHEMBL30995709

SCHEMBL30995709

CCc1c(C)nn(C)c1Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 1/20 0.57
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 6/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.39
BRD4 O60885 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
LTA4H P09960 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
SCHEMBL12806867 0.84 ALDH1A1 (0.46) ALDH1A1KMT2AGAAL3MBTL1KDM4E
SCHEMBL13242970 0.83 ALDH1A1 (0.45) ALDH1A1KMT2AGAAL3MBTL1KDM4E
SCHEMBL12806644 0.83 CYP1A2 (0.63) ALDH1A1KMT2AGAAL3MBTL1KDM4E
SCHEMBL13266786 0.77 ALDH1A1 (0.43) ALDH1A1KMT2AGAAL3MBTL1KDM4E
SCHEMBL21557048 0.74 SMN1; SMN2 (0.55) ALDH1A1KMT2AGAAL3MBTL1KDM4E
SCHEMBL10567354 0.74 KDM4E (0.56) ALDH1A1KMT2AGAAL3MBTL1KDM4E
SCHEMBL13492006 0.73 KDM5A (0.40) ALDH1A1KMT2AGAAL3MBTL1SMN1; SMN2
SCHEMBL9672301 0.73 SMN1; SMN2 (0.74) ALDH1A1KMT2AGAAL3MBTL1KDM4E
SCHEMBL9675014 0.73 KDM4E (0.49) ALDH1A1KMT2AGAAL3MBTL1KDM4E
SCHEMBL9674754 0.72 KDM4E (0.62) ALDH1A1KMT2AGAAL3MBTL1KDM4E

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-113980117-B Fenpyroximate antigen and preparation method and application thereof 西南大学 2024-07-12 CN disclosed