SCHEMBL9608827

SCHEMBL9608827

CCOC(=O)/C=C/C=C/CCc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.47
FAAH O00519 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TBXAS1 P24557 6/20 0.41
KMT2A Q03164 1/20 0.41
PTAFR P25105 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL9608614 0.91 GPR52 (0.53) GPR52FAAHTDP1L3MBTL1TBXAS1
SCHEMBL9608866 0.84 MAPT (0.51) GPR52MAPT
SCHEMBL8512649 0.81 GPR52 (0.57) GPR52TBXAS1PTAFRCHRNA7
SCHEMBL8512647 0.81 GPR52 (0.57) GPR52TBXAS1PTAFRCHRNA7
SCHEMBL1404371 0.78 FAAH (0.64) FAAHTDP1L3MBTL1TBXAS1PTAFR
SCHEMBL1404372 0.78 FAAH (0.64) FAAHTDP1L3MBTL1TBXAS1PTAFR
SCHEMBL9608613 0.76 MAPT (0.56) GPR52MAPT
SCHEMBL5962606 0.76 RAB9A (0.53) TDP1L3MBTL1KMT2AMAPTPOLB
SCHEMBL5962608 0.76 RAB9A (0.53) TDP1L3MBTL1KMT2AMAPTPOLB
SCHEMBL8514456 0.75 CHRNA7 (0.49) GPR52TDP1L3MBTL1TBXAS1CHRNA7

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
WO-2012069605-A1 NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2012-05-31 WO disclosed