SCHEMBL10942733

SCHEMBL10942733

O=C(C=CO)OCCOC(=O)c1ccccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.53
▸ TSHR P16473 7/20 0.51
▸ HCAR2 Q8TDS4 1/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ CYP3A4 P08684 4/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ HPGD P15428 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ AKR1B10 O60218 2/20 0.44
▸ AKR1B1 P15121 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43

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
SCHEMBL10417831 0.88 HCAR2 (0.62) ALDH1A1TSHRHCAR2TDP1L3MBTL1
SCHEMBL7640224 0.88 HCAR2 (0.62) ALDH1A1TSHRHCAR2TDP1L3MBTL1
SCHEMBL9331315 0.86 TSHR (0.54) ALDH1A1TSHRHCAR2TDP1L3MBTL1
SCHEMBL3302489 0.85 ALDH1A1 (0.69) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL10894107 0.84 HCAR2 (0.57) ALDH1A1TSHRHCAR2TDP1L3MBTL1
SCHEMBL28492073 0.83 ALDH1A1 (0.67) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL67527 0.83 THRB (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL30198617 0.83 THRB (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
Formic Acid SCHEMBL22720643 0.82 THRB (0.55) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL12126224 0.80 TSHR (0.62) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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
EP-0085472-B1 PHOTOSENSITIVE POLYMER COMPOSITION TORAY INDUSTRIES, INC. (JP) 1985-12-11 — — EP disclosed
US-4464456-A FLEXOGRAPHIC PRINTING PLATES DEVELOPABLE IN WATER OR ALCOHOL TORAY INDUSTRIES, INC. (JP) 1984-08-07 — — US disclosed
EP-0085472-A1 Photosensitive polymer composition TORAY INDUSTRIES, INC. (JP) 1983-08-10 — — EP disclosed
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