SCHEMBL486576

SCHEMBL486576

C=C(C)c1ccccc1.C=Cc1cccc(C=C)c1CC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
AKT1 P31749 1/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
EGFR P00533 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL7622465 0.84 ALDH1A1 (0.41) ALDH1A1AKT1MAPTATMCES2
SCHEMBL3680343 0.83 AKT1 (0.36) ALDH1A1AKT1MAPTCES2CES1
SCHEMBL6426096 0.82 ALDH1A1 (0.41) ALDH1A1
SCHEMBL486578 0.78 ATM (0.33) ALDH1A1AKT1MAPTATMCES2
SCHEMBL472888 0.77 ALDH1A1 (0.41) ALDH1A1AKT1CES2CES1LMNA
SCHEMBL4651780 0.77 RAB9A (0.44) ALDH1A1AKT1MAPTLMNACYP3A4
SCHEMBL27785581 0.77 ALDH1A1 (0.34) ALDH1A1AKT1MAPTCES2CES1
SCHEMBL16955273 0.77 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7170772 0.77 KDM4E (0.46) ALDH1A1MAPTEGFRLMNACYP2D6
SCHEMBL28274189 0.77 TRPA1 (0.34) ALDH1A1AKT1ATMCES2CES1

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