SCHEMBL4646663

SCHEMBL4646663

COC(=O)c1c(O)cccc1OC(=O)CCCCCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
PTPN1 P18031 6/20 0.39
POLM Q9NP87 1/20 0.39
POLK Q9UBT6 1/20 0.39
POLL Q9UGP5 1/20 0.39
POLH Q9Y253 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL4641307 0.96 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL4641565 0.90 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL4644781 0.88 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL27619967 0.86 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL4642008 0.86 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL4642196 0.86 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL4642126 0.85 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL4647406 0.83 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL4647879 0.82 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL4644099 0.81 CA12 (0.62) CA12CA1CA2CA7CA9

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-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed