SCHEMBL3272159

SCHEMBL3272159

CC(C)c1cc(O)c(C2CCCCC2)cc1C(c1ccccc1O)c1cc(C2CCCCC2)c(O)cc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.46
▸ GABRB2 P47870 2/20 0.46
▸ HSP90AA1 P07900 4/20 0.37
▸ NUDT1 P36639 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ HDAC4 P56524 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HSP90AB1 P08238 3/20 0.34
▸ LMNA P02545 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL757158 0.86 NUDT1 (0.37) GABRA1GABRB2HSP90AA1NUDT1BACE1
SCHEMBL29375612 0.86 NUDT1 (0.37) GABRA1GABRB2HSP90AA1NUDT1BACE1
SCHEMBL30127784 0.86 NUDT1 (0.37) GABRA1GABRB2HSP90AA1NUDT1BACE1
SCHEMBL3272460 0.84 NUDT1 (0.38) GABRA1GABRB2HSP90AA1NUDT1BACE1
SCHEMBL3275606 0.81 NUDT1 (0.39) GABRA1GABRB2HSP90AA1NUDT1BACE1
SCHEMBL760343 0.81 GABRA1 (0.35) GABRA1GABRB2HSP90AA1NUDT1BACE1
SCHEMBL29484425 0.81 GABRA1 (0.35) GABRA1GABRB2HSP90AA1NUDT1BACE1
SCHEMBL28278535 0.80 NUDT1 (0.43) HSP90AA1NUDT1BACE1TSHRHDAC4
SCHEMBL9135740 0.80 GABRA1 (0.34) GABRA1GABRB2HSP90AA1NUDT1BACE1
SCHEMBL9138960 0.80 GABRA1 (0.34) GABRA1GABRB2HSP90AA1NUDT1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1602977-B1 Positive resist composition and compound used therein TOKYO OHKA KOGYO CO LTD (JP) 2010-06-30 — — EP disclosed
US-7232643-B2 Positive resist composition and compound used therein TOKYO OHKA KOGYO CO., LTD. (JP) 2007-06-19 — — US disclosed
EP-1602977-A1 Positive resist composition and compound used therein TOKYO OHKA KOGYO CO., LTD. (JP) 2005-12-07 — — EP disclosed
US-20050266340-A1 Positive resist composition and compound used therein TOKYO OHKA KOGYO CO., LTD. (JP) 2005-12-01 — — US disclosed
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