SCHEMBL22200965

SCHEMBL22200965

CC(C)(C1=CCC(OCC2CO2)C=C1)c1ccc(OC[C@@H]2CO2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.61
▸ MAPT P10636 4/20 0.61
▸ TP53 P04637 3/20 0.61
▸ TSHR P16473 3/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ HPGD P15428 2/20 0.61
▸ HIF1A Q16665 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ PPARG P37231 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.40
▸ PKM P14618 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GRM2 Q14416 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ PSMB1 P20618 1/20 0.32
▸ PSMB5 P28074 1/20 0.32

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
SCHEMBL18535777 0.92 ALDH1A1 (0.61) ALDH1A1MAPTTP53TSHRMEN1
SCHEMBL20629496 0.84 ALDH1A1 (0.44) ALDH1A1MAPTTP53TSHRMEN1
SCHEMBL18432235 0.84 TP53 (0.53) ALDH1A1MAPTTP53TSHRMEN1
SCHEMBL21895717 0.83 TSHR (0.60) ALDH1A1MAPTTP53TSHRMEN1
SCHEMBL14191969 0.78 ALDH1A1 (0.60) ALDH1A1MAPTTP53TSHRMEN1
SCHEMBL17925477 0.78 ALDH1A1 (1.00) ALDH1A1MAPTTP53TSHRMEN1
SCHEMBL22121 0.78 ALDH1A1 (1.00) ALDH1A1MAPTTP53TSHRMEN1
SCHEMBL12440176 0.78 ALDH1A1 (1.00) ALDH1A1MAPTTP53TSHRMEN1
SCHEMBL31392960 0.78 ALDH1A1 (1.00) ALDH1A1MAPTTP53TSHRMEN1
SCHEMBL13317132 0.78 ALDH1A1 (1.00) ALDH1A1MAPTTP53TSHRMEN1

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
EP-3677165-A1 ENDOSCOPE ADHESIVE, CURED MATERIAL, ENDOSCOPE, AND METHOD FOR MANUFACTURING ENDOSCOPE FUJIFILM Corporation (JP) 2020-07-08 — — EP disclosed
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