SCHEMBL13577800

SCHEMBL13577800

C=C(C)C(=O)OCC(COCCOC(=O)c1ccc(O)cc1)OC(=O)C(=C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.47
▸ TSHR P16473 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NR1H2 P55055 1/20 0.47
▸ RNASEL Q05823 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ESR2 Q92731 2/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL13567317 0.91 CA1 (0.41) ESR1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL13577777 0.85 ESR1 (0.51) ESR1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL17034393 0.83 ESR1 (0.57) ESR1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL4541500 0.82 ESR1 (0.62) ESR1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL1835880 0.80 THRB (0.54) TSHRLMNAALDH1A1TDP1THRB
SCHEMBL19316657 0.80 PTPN1 (0.43) ESR1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL22820958 0.80 PTPN1 (0.43) ESR1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL13577806 0.78 ESR1 (0.57) ESR1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL21422384 0.78 PTPN1 (0.48) ESR1TSHRSMN1; SMN2LMNATDP1
SCHEMBL9792359 0.77 ADRB2 (0.59) ESR1TSHRSMN1; SMN2MAPK1LMNA

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-2135739-A2 Relief printing plate precursor for laser engraving, relief printing plate, and process for producing relief printing plate FUJIFILM Corporation (JP) 2009-12-23 — — EP disclosed
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