SCHEMBL5667993

SCHEMBL5667993

CCN(Cc1ccccc1)c1ccc(C(c2ccc(N(CC)Cc3ccccc3)cc2C)c2ccccc2OC)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
MCL1 Q07820 1/20 0.44
S1PR1 P21453 5/20 0.44
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GFER P55789 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRIA2 P42262 1/20 0.41
CNR2 P34972 2/20 0.40
CYP2C19 P33261 1/20 0.39
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
CNR1 P21554 1/20 0.37
MEN1 O00255 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
SCHEMBL5011777 0.88 TSHR (0.56) TSHRMAPTGAAPKMHTT
SCHEMBL5009571 0.84 MAPT (0.64) TSHRMAPTGAAPKMHTT
SCHEMBL5010104 0.83 CNR2 (0.46) TSHRMAPTGAAPKMHTT
SCHEMBL9483197 0.83 TSHR (0.53) TSHRMAPTGAAPKMHTT
SCHEMBL6252652 0.83 TSHR (0.53) TSHRMAPTGAAPKMHTT
SCHEMBL11104541 0.81 TSHR (0.51) TSHRMAPTGAAPKMHTT
SCHEMBL5011808 0.81 TSHR (0.54) TSHRMAPTGAAPKMHTT
SCHEMBL5011923 0.79 TSHR (0.48) TSHRMAPTGAAPKMHTT
SCHEMBL5555787 0.78 MAPT (0.43) MAPTGAAPKMHTTMCL1
SCHEMBL11544567 0.77 TSHR (0.59) TSHRMAPTNR1H2NR1H3MAPK1

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
US-20060078802-A1 Holographic storage medium SABIC INNOVATIVE PLASTICS IP B.V. 2006-04-13 US disclosed