SCHEMBL3880014

SCHEMBL3880014

Cc1ccccc1C(C)OC(=O)CC(=O)OC(C)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.42
▸ NLRP3 Q96P20 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ GLS O94925 1/20 0.38
▸ ACP3 P15309 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL16672984 0.88 ESR1 (0.41) ESR1NLRP3ALDH1A1TSHRMAPK1
SCHEMBL16672665 0.86 ESR1 (0.44) ESR1NLRP3TSHRADRA2AADRA2B
SCHEMBL28141787 0.86 ESR1 (0.40) ESR1NLRP3ALDH1A1TSHRMAPK1
SCHEMBL3423567 0.85 ESR1 (0.39) ESR1NLRP3ALDH1A1TSHRLMNA
SCHEMBL16673183 0.85 MAPK1 (0.40) ESR1NLRP3ALDH1A1TSHRMAPK1
SCHEMBL16673419 0.83 ESR1 (0.38) ESR1NLRP3ALDH1A1TSHRMAPK1
SCHEMBL16672538 0.82 KDM4E (0.39) ESR1NLRP3ALDH1A1TSHRMAPK1
SCHEMBL8432945 0.82 KDM4E (0.46) ALDH1A1MAPK1LMNAKDM4E
SCHEMBL10347902 0.81 ESR1 (0.45) ESR1ALDH1A1MAPK1ADRA2AADRA2B
SCHEMBL28393933 0.81 ESR1 (0.45) ESR1ALDH1A1TSHRADRA2AADRA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010614-A1 DECOMPOSABLE VEHICLES IN PRINTING OR COATING COMPOSITIONS The Technical University of Denmark (DK) 2009-01-07 — — EP disclosed
WO-2007118850-A1 DECOMPOSABLE VEHICLES IN PRINTING OR COATING COMPOSITIONS THE TECHNICAL UNIVERSITY OF DENMARK (DK) 2007-10-25 — — WO disclosed
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