SCHEMBL17801467

SCHEMBL17801467

C[C](Cc1ccccc1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
AKR1B1 P15121 1/20 0.43
EPHX2 P34913 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8657131 0.87 GBA1 (0.50) LMNAL3MBTL1ALDH1A1GLAHPGD
SCHEMBL7368098 0.77 LMNA (0.49) LMNAL3MBTL1ALDH1A1GLAHPGD
SCHEMBL12950567 0.74 L3MBTL1 (0.47) LMNAL3MBTL1ALDH1A1GLAHPGD
SCHEMBL1155730 0.74 FAAH (0.55) LMNAL3MBTL1ALDH1A1GLAHPGD
SCHEMBL8669232 0.72 AKR1B1 (0.46) LMNAL3MBTL1ALDH1A1GLAHPGD
SCHEMBL11127228 0.72 POLB (0.51) ALDH1A1EPHX2
SCHEMBL6949941 0.72 EPHX2 (0.45) LMNAL3MBTL1ALDH1A1GLAHPGD
SCHEMBL7209767 0.71 EPHX2 (0.47) LMNAL3MBTL1ALDH1A1GLAHPGD
SCHEMBL9537261 0.71 CYP19A1 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL66721 0.71 CES1 (0.55) L3MBTL1ALDH1A1CES2CES1AKR1B1

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
WO-2016087593-A1 NOVEL FUNGICIDAL QUINOLINYLAMIDINES SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 WO disclosed