SCHEMBL16362005

SCHEMBL16362005

CC1=CC(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)I)=C2)C=C(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
ATM Q13315 2/20 0.37
CES2 O00748 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
CES1 P23141 1/20 0.37
MPI P34949 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCL1 Q07820 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL442633 0.90 ATM (0.43) ALDH1A1MAPTATMCES2PKM
SCHEMBL14673579 0.84 ATM (0.45) ALDH1A1MAPTATMCES2PKM
SCHEMBL12677688 0.84 ATM (0.45) ALDH1A1MAPTATMCES2PKM
SCHEMBL4751533 0.84 ATM (0.45) ALDH1A1MAPTATMCES2PKM
SCHEMBL359232 0.79 ATM (0.52) ALDH1A1MAPTATMCES2PKM
SCHEMBL12767612 0.74 ALDH1A1 (0.41) ALDH1A1MAPTATMCES2PKM
SCHEMBL2741115 0.72 ALDH1A1 (0.40) ALDH1A1MAPTATMPKMHPGD
SCHEMBL14081321 0.71 ATM (0.48) ALDH1A1MAPTATMCES2PKM
SCHEMBL12315144 0.69 ATM (0.41) ALDH1A1MAPTATMCES2PKM
SCHEMBL13010088 0.69 SMN1; SMN2 (0.44) ALDH1A1MAPTATMCES2PKM

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
EP-2816412-A1 Process for producing electrophotographic photosensitive member Canon Kabushiki Kaisha (JP) 2014-12-24 EP disclosed