SCHEMBL28801416

SCHEMBL28801416

COc1cc(C(N)CN)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
PTGS2 P35354 1/20 0.45
ACHE P22303 1/20 0.45
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
CA9 Q16790 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NFKB1 P19838 1/20 0.42
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41
TUBA1B P68363 3/20 0.41
TUBA4A P68366 3/20 0.41
TUBB4B P68371 3/20 0.41
TUBB3 Q13509 3/20 0.41
TUBB2A Q13885 3/20 0.41
TUBB8 Q3ZCM7 3/20 0.41
TUBA3E Q6PEY2 3/20 0.41

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
SCHEMBL12659351 0.86 PTGS2 (0.52) HTR2AHTR2CHTR2BPTGS2ACHE
SCHEMBL8173411 0.82 MAPT (0.47) HTR2AHTR2CHTR2BPTGS2ACHE
SCHEMBL20970913 0.78 HTR2A (0.48) HTR2AHTR2CHTR2BPTGS2ACHE
SCHEMBL7927945 0.78 NFKB1 (0.62) HTR2AHTR2CHTR2BPTGS2MAPT
SCHEMBL7927950 0.78 NFKB1 (0.62) HTR2AHTR2CHTR2BPTGS2MAPT
SCHEMBL9903813 0.78 ACHE (0.50) ACHECA9L3MBTL1NFKB1BLM
SCHEMBL11376872 0.78 L3MBTL1 (0.42) HTR2AHTR2CHTR2BPTGS2ACHE
Hydrochloric Acid SCHEMBL7930046 0.77 BLM (0.63) HTR2AHTR2CHTR2BMAPTCYP3A4
SCHEMBL8751285 0.77 ACHE (0.50) HTR2AHTR2CHTR2BPTGS2ACHE
SCHEMBL1134650 0.77 ACHE (0.50) HTR2AHTR2CHTR2BPTGS2ACHE

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-101889961-B Cosmetic or dermatological composition OREAL 2013-02-20 CN disclosed