SCHEMBL7715933

SCHEMBL7715933

COc1cc(OC)nc(Oc2[c]nccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7713784 0.75 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2ALDH1A1NPSR1CYP1A2
SCHEMBL303339 0.74
SCHEMBL8322335 0.71 L3MBTL1 (0.45) L3MBTL1ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL9767808 0.68 L3MBTL1 (0.75) L3MBTL1SMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL12095206 0.67 L3MBTL1 (0.72) L3MBTL1SMN1; SMN2ALDH1A1NPSR1CYP1A2
SCHEMBL12095207 0.67 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2ALDH1A1NPSR1CYP1A2
SCHEMBL328754 0.66 LTA4H (0.44) ALDH1A1
SCHEMBL3538357 0.66 KDM4E (0.45) L3MBTL1SMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL2900554 0.66 L3MBTL1 (0.70) L3MBTL1SMN1; SMN2ALDH1A1NPSR1CYP1A2
SCHEMBL9598158 0.66 L3MBTL1 (0.55) L3MBTL1SMN1; SMN2ALDH1A1NPSR1CYP1A2

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
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US claimed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed