SCHEMBL8410304

SCHEMBL8410304

CC(C)(C)C1=CC(=CCl)C=C(C(C)(C)C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR35 Q9HC97 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
CES2 O00748 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
CES1 P23141 1/20 0.43
MPI P34949 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCL1 Q07820 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.32
GPR55 Q9Y2T6 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
SCHEMBL15235937 0.81 ATM (0.46) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL8676354 0.79 ATM (0.45) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL8673484 0.78 ATM (0.41) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL22930710 0.77 ATM (0.44) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL14307454 0.77 ATM (0.44) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL19730332 0.74 KMT2A (0.66) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL85970 0.74 ATM (0.49) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL28494712 0.72 KMT2A (0.59) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL17307988 0.72 ATM (0.41) ATMNPC1KMT2AGPR35ALDH1A1
SCHEMBL85969 0.72 ATM (0.41) ATMNPC1KMT2AGPR35ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626377-B1 Method for producing benzylidene derivatives SHIONOGI & CO (JP) 1999-07-28 EP disclosed
US-5463052-A Nonsteroidal antiinflammatory agents SHIONOGI & CO., LTD. (JP) 1995-10-31 US disclosed
EP-0626377-A1 Method for producing benzylidene derivatives SHIONOGI & CO., LTD. (JP) 1994-11-30 EP disclosed
US-5093363-A Antilipemic agents SHIONOGI & CO., LTD. (JP) 1992-03-03 US disclosed