SCHEMBL16709677

SCHEMBL16709677

C=Cc1ccc(Sc2ccc3sc4ccccc4c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.34
DUSP3 P51452 2/20 0.34
PTPN7 P35236 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 2/20 0.33
PTGIR P43119 1/20 0.33
DHODH Q02127 1/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 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
SCHEMBL3056634 0.83 GPR3 (0.54) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL30913876 0.83 GPR3 (0.54) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL21135533 0.83 GPR3 (0.54) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL15836071 0.78 GPR3 (0.52) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL24285614 0.77 GPR3 (0.42) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL16709678 0.77 KIF11 (0.51) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL3555799 0.76 GPR3 (0.54) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL30050035 0.76 GPR3 (0.54) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL10031903 0.76 ALDH1A1 (0.46) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL16709769 0.74 ALDH1A1 (0.50) ALDH1A1HPGDTSHRTDP1POLB

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-2015068839-A1 POLYMERIZABLE COMPOUND, RESIN COMPOSITION USING SAME, CURED RESIN, AND OPTICAL MATERIAL 新日鉄住金化学株式会社 2015-05-14 WO disclosed