SCHEMBL13846509

SCHEMBL13846509

COc1ccc(-c2ccc(C)cc2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RORC P51449 1/20 0.49
ACHE P22303 1/20 0.48
ALDH1A1 P00352 3/20 0.47
AOX1 Q06278 1/20 0.47
FYN P06241 1/20 0.47
TUBB1 Q9H4B7 4/20 0.46
MCL1 Q07820 1/20 0.46
CYP1A2 P05177 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
TUBB4A P04350 2/20 0.45

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
SCHEMBL27619310 0.84 ALOX5 (0.57) MAPTMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL8338706 0.84 FYN (0.61) MAPTMEN1MAPK1KMT2ALMNA
SCHEMBL218637 0.83 ACHE (0.62) MAPTMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL29398758 0.83 ACHE (0.62) MAPTMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL11289190 0.82 MAOB (0.57) MAPTMEN1MAPK1KMT2ALMNA
SCHEMBL12333997 0.81 ACHE (0.67) MAPTMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL1047750 0.81 ACHE (0.67) MAPTMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL31042563 0.81 ACHE (0.67) MAPTMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL3987934 0.81 ALDH1A1 (0.44) MAPTMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL8338270 0.79 ACHE (0.52) MAPTTDP1RORCACHEALDH1A1

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-2009067697-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2009-05-28 WO disclosed