SCHEMBL14062972

SCHEMBL14062972

C(#Cc1ccc(OCOCC2CO2)cc1)c1ccc(OCOCC2CO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.50
▸ ALDH1A1 P00352 6/20 0.47
▸ TSHR P16473 5/20 0.47
▸ TP53 P04637 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ GLA P06280 1/20 0.39
▸ MAPK1 P28482 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ APP P05067 4/20 0.35

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
SCHEMBL14063104 1.00 TDP1 (0.50) TDP1ALDH1A1TSHRTP53MAPT
SCHEMBL14063127 0.98 TDP1 (0.49) TDP1ALDH1A1TSHRTP53MAPT
SCHEMBL14063107 0.95 TDP1 (0.46) TDP1ALDH1A1TSHRTP53MAPT
SCHEMBL14062660 0.92 TSHR (0.45) TDP1ALDH1A1TSHRTP53MAPT
SCHEMBL14063126 0.89 TDP1 (0.59) TDP1ALDH1A1TSHRTP53MAPT
SCHEMBL12242571 0.88 TDP1 (0.41) TDP1ALDH1A1TSHRTP53MAPT
SCHEMBL14062872 0.87 SLC6A2 (0.45) TDP1ALDH1A1TSHRTP53MAPT
SCHEMBL14062954 0.87 TDP1 (0.66) TDP1ALDH1A1TSHRTP53MAPT
SCHEMBL14063103 0.87 TDP1 (0.66) TDP1ALDH1A1TSHRTP53MAPT
SCHEMBL14063008 0.85 TDP1 (0.53) TDP1ALDH1A1TSHRTP53MAPT

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-7425354-B2 Photopolymerizable liquid crystal composition, its polymer or polymer composition, and optical compensation element CHISSO CORPORATION (JP) 2008-09-16 — — US disclosed
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