SCHEMBL469946

SCHEMBL469946

Cc1ccc(C(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(I)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ACHE P22303 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
APP P05067 1/20 0.38
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA5A P35218 1/20 0.35
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CA7 P43166 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
MLYCD O95822 1/20 0.32
HSD11B1 P28845 1/20 0.32
KIF11 P52732 1/20 0.31
GAA P10253 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL4754769 0.93 TSHR (0.48) TSHRACHETDP1APPNPC1
SCHEMBL470004 0.93 TSHR (0.48) TSHRACHETDP1APPNPC1
SCHEMBL23661307 0.91 TSHR (0.46) TSHRACHETDP1ALDH1A1KIF11
SCHEMBL13701491 0.89 ALDH1A1 (0.54) TSHRACHETDP1APPNPC1
SCHEMBL10033199 0.89 ALDH1A1 (0.54) TSHRACHETDP1APPNPC1
SCHEMBL13149752 0.89 ACHE (0.54) TSHRACHEAPPMAPTALDH1A1
SCHEMBL13149758 0.89 ACHE (0.54) TSHRACHETDP1APPNPC1
SCHEMBL11878908 0.86 TSHR (0.71) TSHRACHETDP1NPC1MAPT
SCHEMBL28553350 0.86 APP (0.40) TSHRAPPCA1CA2HDAC8
SCHEMBL1986810 0.86 APP (0.40) TSHRAPPCA1CA2HDAC8

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-2012032211-A1 DENDRITIC STRUCTURES BASED ON TETRAARYLMETHANE UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2012-03-15 WO disclosed