SCHEMBL7782900

SCHEMBL7782900

C=Cc1ccc(OC(C)OCCOS(C)(=O)=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A3 P47895 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
PTPN1 P18031 3/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
PTGS2 P35354 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
SCHEMBL7783196 0.88 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7780851 0.85 PTGS2 (0.35) TDP1ALDH1A1KDM4EPTGS2
SCHEMBL7776339 0.81 STAT3 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5693040 0.79 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7941374 0.78 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5900997 0.78 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7539425 0.78 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7783187 0.78 TAS1R3 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7784217 0.78 TAS1R3 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL685647 0.76 CHRNA7 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827970-B1 New acid-labile group protected hydroxystyrene polymers or copolymers thereof and their application to radiation sensitive materials CLARIANT FINANCE BVI LTD (VG) 2001-09-26 EP claimed
EP-0827970-B1 New acid-labile group protected hydroxystyrene polymers or copolymers thereof and their application to radiation sensitive materials CLARIANT FINANCE BVI LTD (VG) 2001-09-26 EP disclosed
EP-0827970-A2 New acid-labile group protected hydroxystyrene polymers or copolymers thereof and their application to radiation sensitive materials Clariant AG (CH) 1998-03-11 EP disclosed