SCHEMBL6552976

SCHEMBL6552976

C=C(C)C(=O)OC1CCCCC1.CCOC(C)Oc1ccc(C=CC=Cc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.36
PPARD Q03181 4/20 0.36
PPARG P37231 3/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
CHRNA7 P36544 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33

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
4-Vinylphenol SCHEMBL6553030 0.93 PPARA (0.33) PPARAPPARDPPARGLTB4RLTB4R2
SCHEMBL5702521 0.93 STAT3 (0.34) PPARAPPARDPPARGTRPM8
SCHEMBL7270879 0.84 NFKB1 (0.34) TRPM8
4-Vinylphenol SCHEMBL6554337 0.84 PPARG (0.33) PPARAPPARDPPARGRAB9APOLB
SCHEMBL6550268 0.82 STAT3 (0.39) RAB9ATRPM8NPC1
SCHEMBL7263903 0.82 STAT3 (0.34) PPARAPPARDPPARGTRPM8
SCHEMBL7270930 0.82 STAT3 (0.36) RAB9ATRPM8NPC1LMNASMN1; SMN2
SCHEMBL2127874 0.80 CA12 (0.36) PPARAPPARDPPARGTRPM8
SCHEMBL3841428 0.76 ESR1 (0.36) POLB
SCHEMBL6550872 0.76 STAT3 (0.42) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1059314-B1 A resist composition WAKO PURE CHEM IND LTD (JP) 2004-12-22 EP disclosed
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
EP-1059314-A1 A resist composition Wako Pure Chemical Industries, Ltd. (JP) 2000-12-13 EP disclosed