SCHEMBL18633409

SCHEMBL18633409

CCN1CCC(C(=O)c2ccc(Cc3ccc(F)cc3)o2)=C(C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 4/20 0.40
POLB P06746 3/20 0.40
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKR1B1 P15121 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL754653 0.90 MAPT (0.41) MAPTALDH1A1POLBPDE3BPDE3A
SCHEMBL2486832 0.81 ALDH1A1 (0.41) MAPTALDH1A1POLBLMNATSHR
SCHEMBL756448 0.79 LIPG (0.42) MAPTALDH1A1POLBLMNAHTT
SCHEMBL755131 0.78 ALDH1A1 (0.39) MAPTALDH1A1POLBLMNAMEN1
SCHEMBL752110 0.77 ALDH1A1 (0.39) MAPTALDH1A1POLBLMNAMEN1
SCHEMBL754217 0.75 LIPG (0.40) ALDH1A1POLBLMNATSHR
SCHEMBL755241 0.74 ALDH1A1 (0.38) ALDH1A1POLBLMNATSHR
SCHEMBL752899 0.74 LIPG (0.51) ALDH1A1POLBLMNATSHR
SCHEMBL758461 0.73 ALDH1A1 (0.38) ALDH1A1POLBLMNATSHR
SCHEMBL2489852 0.73 LIPG (0.44) MAPTALDH1A1POLBHTT

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-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed