SCHEMBL14877752

SCHEMBL14877752

CCCCOc1ccc(-c2nc(CC)c(C(=O)OC)s2)cc1C#N

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 3/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ PGR P06401 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ PDE4A P27815 1/20 0.51
▸ BLVRB P30043 1/20 0.51
▸ TARBP2 Q15633 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PPID Q08752 1/20 0.46

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
SCHEMBL4457485 0.91 XDH (0.59) XDHABCC4ABCB11PGRCHRM1
SCHEMBL4448051 0.83 XDH (0.44) XDHABCC4ABCB11PGRCHRM1
SCHEMBL29460288 0.82 XDH (0.74) XDHABCC4ABCB11PGRCHRM1
SCHEMBL12127713 0.82 XDH (0.46) XDHABCC4ABCB11PGRCHRM1
SCHEMBL14037590 0.81 XDH (0.46) XDHABCC4ABCB11PGRCHRM1
SCHEMBL14240896 0.78 XDH (0.78) XDHABCC4ABCB11PGRCHRM1
SCHEMBL4451557 0.77 ALDH1A1 (0.49) XDHALDH1A1HPGD
SCHEMBL29183565 0.77 XDH (0.59) XDHABCC4ABCB11PGRCHRM1
SCHEMBL30804881 0.77 XDH (0.59) XDHABCC4ABCB11PGRCHRM1
SCHEMBL30253977 0.76 XDH (0.76) XDHABCC4ABCB11PGRCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426453-B2 Treatment of a stomach or small intestine ulcer with 2-(3-cyano-4-isobutyloxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ASTELLAS PHARMA INC. (JP) 2013-04-23 — — US disclosed
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