SCHEMBL5355560

SCHEMBL5355560

C=Cc1ccc(OC(C)(C)CCCCCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ S1PR1 P21453 8/20 0.34
▸ S1PR3 Q99500 7/20 0.34
▸ S1PR4 O95977 5/20 0.34
▸ S1PR5 Q9H228 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ NR5A1 Q13285 1/20 0.33
▸ SPHK2 Q9NRA0 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ TNNC1 P63316 1/20 0.32
▸ AHR P35869 1/20 0.32

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
SCHEMBL5352670 1.00 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18727664 0.98 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5359073 0.94 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5351296 0.87 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1992995 0.80 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6695337 0.79 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6699154 0.79 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6692570 0.79 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL19442925 0.78 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14280381 0.78 ALDH1A1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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
US-7202016-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2007-04-10 — — US disclosed
US-20050214680-A1 Radiation-sensitive resin composition MIYAJI MASAAKI 2005-09-29 — — US disclosed
US-6933094-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-08-23 — — US disclosed
US-20020058201-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-05-16 — — US disclosed
EP-1193558-A2 Radiation-sensitive resin composition JSR Corporation (JP) 2002-04-03 — — EP disclosed
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