SCHEMBL3275606

SCHEMBL3275606

CCCc1cc(O)c(C2CCCCC2)cc1C(c1ccccc1O)c1cc(C2CCCCC2)c(O)cc1CCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ TSHR P16473 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ CNR1 P21554 5/20 0.33
▸ CNR2 P34972 5/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.32
▸ CTSK P43235 3/20 0.32
▸ CTSS P25774 2/20 0.32
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31

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
SCHEMBL3272460 0.91 NUDT1 (0.38) NUDT1BACE1TSHRHSP90AA1CNR1
SCHEMBL28278535 0.85 NUDT1 (0.43) NUDT1BACE1TSHRHSP90AA1
SCHEMBL757158 0.81 NUDT1 (0.37) NUDT1BACE1TSHRHSP90AA1GABRA1
SCHEMBL29375612 0.81 NUDT1 (0.37) NUDT1BACE1TSHRHSP90AA1GABRA1
SCHEMBL3272159 0.81 GABRA1 (0.46) NUDT1BACE1TSHRHSP90AA1GABRA1
SCHEMBL30127784 0.81 NUDT1 (0.37) NUDT1BACE1TSHRHSP90AA1GABRA1
SCHEMBL29484425 0.76 GABRA1 (0.35) NUDT1BACE1TSHRHSP90AA1GABRA1
SCHEMBL760343 0.76 GABRA1 (0.35) NUDT1BACE1TSHRHSP90AA1GABRA1
SCHEMBL9135740 0.74 GABRA1 (0.34) NUDT1BACE1TSHRHSP90AA1GABRA1
SCHEMBL9138960 0.74 GABRA1 (0.34) NUDT1BACE1TSHRHSP90AA1GABRA1

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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