SCHEMBL7776305

SCHEMBL7776305

CCC(=O)OCCOC(C)Oc1ccc(C=C(C=Cc2ccc(C)cc2)C=Cc2ccc(O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA2 P00918 2/20 0.41
ABCG2 Q9UNQ0 3/20 0.40
MAOB P27338 4/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 1/20 0.39
RAB9A P51151 1/20 0.39
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP1 P03956 1/20 0.37
MET P08581 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL8735872 0.92 AKR1B10 (0.42) CA12CA1CA7CA9CA14
SCHEMBL3838358 0.84 CA12 (0.43) CA12CA1CA7CA9CA14
SCHEMBL7783184 0.84 ABCG2 (0.42) CA12CA1CA7CA9CA14
SCHEMBL6550386 0.80 MAPT (0.43) CA12CA1CA7CA9CA14
SCHEMBL6280782 0.78 ABCG2 (0.46) CA12CA1CA7CA9CA14
SCHEMBL3842067 0.76 LTB4R (0.41) CA12CA1CA7CA9CA14
SCHEMBL7199294 0.76 LTB4R (0.41) CA12CA1CA7CA9CA14
SCHEMBL6839679 0.75 LTB4R (0.37) CA12CA1CA7CA9CA14
SCHEMBL7776364 0.75 CHRNB2 (0.40)
SCHEMBL6280731 0.75 RELA (0.41) CA12CA1CA7CA9CA14

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 2 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 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