SCHEMBL29186331

SCHEMBL29186331

c1ccc2c(C3(c4cccc5ccccc45)CCCC3)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.58
SLC6A4 P31645 7/20 0.58
SLC6A2 P23975 6/20 0.58
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.40
CYP2A6 P11509 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
KEAP1 Q14145 1/20 0.38
HPRT1 P00492 1/20 0.37

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
SCHEMBL3250205 0.98 SLC6A3 (0.61) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL28927775 0.85 SLC6A3 (0.53) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL31513789 0.79 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL6059994 0.79 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL5240613 0.78 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL3764373 0.78 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL11826482 0.78 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL20104711 0.78 SLC6A3 (0.62) SLC6A3SLC6A4SLC6A2
SCHEMBL28452887 0.78 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL28452886 0.76 SLC6A3 (0.56) SLC6A3SLC6A4SLC6A2KDM4EMEN1

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
CN-117843427-A Synthesis method of axisymmetric dinaphthylcyclopentene fused tetraphenyl 内蒙古大学 2024-04-09 CN disclosed