SCHEMBL6864307

SCHEMBL6864307

C=Cc1ccc(OC(=O)OC(C)(C)Cc2ccc(C=COC(C)OCC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.35
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
PMP22 Q01453 1/20 0.33
NLRP3 Q96P20 1/20 0.33
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
THRB P10828 2/20 0.32
PPARA Q07869 4/20 0.31
PPARD Q03181 3/20 0.31
PPARG P37231 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
PTGS2 P35354 1/20 0.31
ELANE P08246 1/20 0.30

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
SCHEMBL5676063 0.89 STAT3 (0.34) CTSKCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL6864794 0.84 PPARG (0.31) PPARAPPARG
SCHEMBL6883650 0.83 POLB (0.32) CTSKCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL2495650 0.81 HIF1A (0.37) CTSKCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL6555179 0.81 CTSK (0.33) CTSKPPARAPPARG
SCHEMBL3838403 0.78 CYP3A4 (0.33) CTSKCYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL5676024 0.78 CTSK (0.36) CTSKBCHEMAOB
4-Vinylphenol SCHEMBL6555194 0.78 CTSK (0.31) CTSKPPARAPPARGMAOB
SCHEMBL6861956 0.77 PPARG (0.34) PPARAPPARDPPARG
SCHEMBL3843851 0.76 CYP3A4 (0.37) CTSKCYP3A4CYP1A2CYP2D6CYP2C9

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
US-6716573-B2 Resist Composition WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-06 US disclosed
US-20030039920-A1 Resist composition WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-27 US disclosed
US-6432608-B1 FINENESS PATTERN WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-13 US disclosed