SCHEMBL4632658

SCHEMBL4632658

CCCCC(O)CCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.39
FFAR4 Q5NUL3 1/20 0.37
FFAR1 O14842 1/20 0.37
NFKB1 P19838 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CTSS P25774 1/20 0.35
GPR84 Q9NQS5 2/20 0.35

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
SCHEMBL24117771 0.86 CTSK (0.40) CTSKCA12CA1CA7CA14
SCHEMBL4818625 0.86 CTSK (0.39) CTSKCA14HDAC1HDAC2HDAC6
SCHEMBL4818294 0.86 CTSK (0.39) CTSKCA14HDAC1HDAC2HDAC6
SCHEMBL4818286 0.86 CTSK (0.39) CTSKCA14HDAC1HDAC2HDAC6
SCHEMBL3161490 0.85 CA12 (0.39) CTSKCA12CA1CA7CA14
SCHEMBL6327607 0.84 GPR88 (0.36) CTSKCA12CA1CA7CA14
SCHEMBL3161597 0.83 CA14 (0.41) CTSKCA12CA1CA7CA14
SCHEMBL4820504 0.82 CTSK (0.41) CTSKCA1CA7CA14HDAC1
SCHEMBL31572485 0.82 EPHX2 (0.41) CTSKCA12CA1CA7CA14
SCHEMBL14098625 0.82 EPHX2 (0.41) CTSKCA12CA1CA7CA14

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-1924570-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE Argenta Discovery Limited (GB) 2008-05-28 EP disclosed
WO-2007017669-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2007-02-15 WO disclosed