SCHEMBL2493056

SCHEMBL2493056

[CH]=Cc1ccc(C(C)COC(C)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.36
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
ACHE P22303 2/20 0.33
BCHE P06276 1/20 0.33
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
TYR P14679 1/20 0.32
ACACB O00763 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MIF P14174 1/20 0.31

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
SCHEMBL5981330 0.86 ALDH1A1 (0.41) STAT3TSHRALDH1A1ACHETDP1
SCHEMBL17129090 0.85 TYR (0.48) STAT3ALDH1A1KDM4EMAPK1TYR
SCHEMBL2468494 0.84 TAS1R3 (0.42) STAT3TSHRALDH1A1KDM4EMAPK1
SCHEMBL3504492 0.78 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL2494634 0.78 TYR (0.32) TYRMEN1KMT2A
SCHEMBL13034101 0.78 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL13034095 0.78 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL17129091 0.77 ADRB3 (0.42) STAT3TSHRALDH1A1ACHEPTGS2
SCHEMBL10396709 0.75 PTGS2 (0.53) TSHRPTGS2
SCHEMBL10396708 0.75 PTGS2 (0.53) TSHRPTGS2

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-1395622-B1 ARBORESCENT THERMOPLASTIC ELASTOMERS AND PRODUCTS THEREFROM AUSTIN VENTURE PARTNERS LLC (US) 2011-10-05 EP claimed