SCHEMBL10901418

SCHEMBL10901418

CC(C)(C)c1cc(C=CC(=O)N2CCN(c3ccc(C(=O)O)cc3)CC2)cc(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ME2 P23368 1/20 0.54
ME1 P48163 1/20 0.54
ME3 Q16798 1/20 0.54
ACHE P22303 5/20 0.48
MAPT P10636 3/20 0.48
GABBR2 O75899 1/20 0.48
GABBR1 Q9UBS5 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MCL1 Q07820 1/20 0.46
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
TNFRSF1A P19438 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL10901414 1.00 ME2 (0.54) ME2ME1ME3ACHEMAPT
SCHEMBL6023219 0.88 ME2 (0.52) ME2ME1ME3ACHEMAPT
SCHEMBL10900723 0.86 ACHE (0.48) ME2ME1ME3ACHEMAPT
SCHEMBL10900725 0.86 ACHE (0.48) ME2ME1ME3ACHEMAPT
SCHEMBL6022932 0.84 MAPT (0.57) ME2ME1ME3ACHEMAPT
SCHEMBL10898730 0.82 EBP (0.46) ACHEGABBR2GABBR1ALDH1A1TNFRSF1A
SCHEMBL10898734 0.82 EBP (0.46) ACHEGABBR2GABBR1ALDH1A1TNFRSF1A
SCHEMBL6022710 0.78 MAPT (0.49) ME2ME1ME3ACHEMAPT
Hydrochloric Acid SCHEMBL6023141 0.77 MAPT (0.48) ME2ME1ME3ACHEMAPT
SCHEMBL6022714 0.77 KMT2A (0.49) ME2ME1ME3MAPTSMN1; SMN2

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
US-4616086-A ANTICOAGULANTS BOEHRINGER MANNHEIM GMBH (DE) 1986-10-07 US disclosed