SCHEMBL14062949

SCHEMBL14062949

c1cc(-c2ccc(OCOCC3CO3)cc2)ccc1OCOCC1CO1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.53
▸ TSHR P16473 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ TP53 P04637 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HIF1A Q16665 2/20 0.50
▸ PKM P14618 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ PPARG P37231 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ GLA P06280 1/20 0.41
▸ MAPK1 P28482 1/20 0.38
▸ MGLL Q99685 3/20 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
SCHEMBL14063008 1.00 TDP1 (0.53) TDP1TSHRALDH1A1TP53MEN1
SCHEMBL14063019 0.98 TDP1 (0.52) TDP1TSHRALDH1A1TP53MEN1
SCHEMBL14062669 0.92 ALDH1A1 (0.47) TDP1TSHRALDH1A1TP53MEN1
SCHEMBL14062635 0.92 TDP1 (0.46) TDP1TSHRALDH1A1TP53MEN1
SCHEMBL14062589 0.92 TDP1 (0.46) TDP1TSHRALDH1A1TP53MEN1
SCHEMBL14063107 0.92 TDP1 (0.46) TDP1TSHRALDH1A1TP53MEN1
SCHEMBL13340862 0.90 MEN1 (0.50) TDP1TSHRALDH1A1TP53MEN1
SCHEMBL14063154 0.89 TSHR (0.46) TDP1TSHRALDH1A1TP53MEN1
SCHEMBL14063036 0.89 TDP1 (0.63) TDP1TSHRALDH1A1TP53MEN1
SCHEMBL14062640 0.87 TP53 (0.44) TDP1TSHRALDH1A1TP53MEN1

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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