SCHEMBL486578

SCHEMBL486578

C=C(C)c1ccccc1.C=Cc1ccccc1C(=C)CC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
AKT1 P31749 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL536537 0.88 ALDH1A1 (0.39) MAOAMAOBALDH1A1MEN1CYP3A4
SCHEMBL7622465 0.81 ALDH1A1 (0.41) ATMCES2CES1ALDH1A1MEN1
SCHEMBL28172371 0.81 AKR1C3 (0.43) CES2CES1ALDH1A1MEN1CYP3A4
SCHEMBL7560324 0.80 MAOA (0.41) ATMCES2CES1MAOAMAOB
SCHEMBL3680343 0.78 AKT1 (0.36) CES2CES1ALDH1A1CYP3A4AKT1
SCHEMBL486576 0.78 ALDH1A1 (0.33) ATMCES2CES1MAOAMAOB
SCHEMBL3680344 0.77 MAOA (0.45) ATMCES2CES1MAOAMAOB
SCHEMBL10955677 0.76 MEN1 (0.41) ATMCES2CES1MAOAMAOB
SCHEMBL489258 0.75 ALDH1A1 (0.43) ALDH1A1MEN1CYP3A4KMT2AMAPT
SCHEMBL472888 0.75 ALDH1A1 (0.41) CES2CES1ALDH1A1MEN1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412051-B1 ION EXCHANGE FILTER FOR FUEL CELL SYSTEM DOW GLOBAL TECHNOLOGIES LLC (US) 2014-10-22 EP disclosed
EP-2412051-A1 ION EXCHANGE FILTER FOR FUEL CELL SYSTEM Dow Global Technologies LLC (US) 2012-02-01 EP disclosed
WO-2010110783-A1 ION EXCHANGE FILTER FOR FUEL CELL SYSTEM DOW GLOBAL TECHNOLOGIES INC. (US) 2010-09-30 WO disclosed