SCHEMBL5807469

SCHEMBL5807469

CC(C)(C)c1ccccc1-c1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD11B1 P28845 2/20 0.42
▸ CA2 P00918 2/20 0.39
▸ TRPA1 O75762 1/20 0.37
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ PBRM1 Q86U86 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MAOB P27338 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 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
SCHEMBL1194484 0.85 ALDH1A1 (0.55) ALDH1A1TDP1TSHRHSD11B1CA2
SCHEMBL27817618 0.84 ALDH1A1 (0.39) ALDH1A1MAPK1TDP1TSHRHSD11B1
Phosphine SCHEMBL2238711 0.83 ALDH1A1 (0.52) ALDH1A1TDP1TSHRHSD11B1CA2
SCHEMBL545684 0.83 ALDH1A1 (0.52) ALDH1A1TDP1TSHRHSD11B1CA2
SCHEMBL5989022 0.83 ALDH1A1 (0.41) ALDH1A1MAPK1TDP1TSHRHSD11B1
SCHEMBL10386115 0.81 ALDH1A1 (0.40) ALDH1A1MAPK1TDP1TSHRHSD11B1
SCHEMBL11020611 0.80 ALDH1A1 (0.50) ALDH1A1TDP1TSHRHSD11B1CA2
SCHEMBL292047 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1TDP1TSHRHSD11B1
SCHEMBL30503531 0.80 ALDH1A1 (0.50) ALDH1A1MAPK1TDP1TSHRHSD11B1
SCHEMBL6677576 0.80 CA2 (0.43) ALDH1A1TDP1TSHRHSD11B1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101200634-B Soluble branch substituted anthracene molecule blue material as well as preparation method and uses thereof UNIV SOUTH CHINA TECH 2011-07-06 — — CN disclosed
CN-101200634-A Soluble branch substituted anthracene molecule blue material as well as preparation method and uses thereof UNIV SOUTH CHINA TECH (CN) 2008-06-18 — — CN disclosed
WO-2006070184-A1 BLUE-SHIFTED TRIARYLAMINE POLYMER CAMBRIDGE DISPLAY TECHNOLOGY LIMITED 2006-07-06 — — WO disclosed
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