SCHEMBL16672984

SCHEMBL16672984

CCC(=O)OC(C)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.41
▸ NLRP3 Q96P20 3/20 0.40
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ ACP3 P15309 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL3880014 0.88 ESR1 (0.42) ESR1NLRP3TSHRMAPK1ADRA2A
SCHEMBL16673183 0.87 MAPK1 (0.40) ESR1NLRP3TSHRMAPK1ADRA2A
SCHEMBL28141787 0.85 ESR1 (0.40) ESR1NLRP3TSHRMAPK1ADRA2A
SCHEMBL16672665 0.85 ESR1 (0.44) ESR1NLRP3TSHRADRA2AADRA2B
SCHEMBL8432945 0.84 KDM4E (0.46) MAPK1KDM4ECNR2ALDH1A1LMNA
SCHEMBL23255708 0.83 KDM4E (0.40) ESR1NLRP3TSHRMAPK1ADRA2A
SCHEMBL3423567 0.83 ESR1 (0.39) ESR1NLRP3TSHRADRA2AADRA2B
SCHEMBL29998438 0.83 KDM4E (0.40) ESR1NLRP3TSHRMAPK1ADRA2A
SCHEMBL29096158 0.83 TSHR (0.52) NLRP3TSHRKDM4EPOLBALDH1A1
SCHEMBL16673419 0.82 ESR1 (0.38) ESR1NLRP3TSHRMAPK1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 — — EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 — — US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 — — US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 — — EP disclosed
CN-101903378-B Aminotriazole derivatives ACTELION PHARMACEUTICALS LTD 2014-03-12 — — CN disclosed
CN-101023062-A Production of alpha, beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA NV (BE) 2007-08-22 — — CN disclosed
Send feedback