SCHEMBL14790056

SCHEMBL14790056

Cc1cccc(-n2cnc(C/C(=C/CCN)C(=O)O)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 9/20 0.40
▸ CPB1 P15086 4/20 0.40
▸ HSD11B1 P28845 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALKBH5 Q6P6C2 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ CTBP2 P56545 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ HPGD P15428 1/20 0.32

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
SCHEMBL14789403 0.88 CPB2 (0.51) CPB2CPB1KDM4E
SCHEMBL14790061 0.88 CPB1 (0.41) CPB2CPB1HSD11B1ALKBH5CTBP2
SCHEMBL14789411 0.87 CPB2 (0.41) CPB2CPB1KDM4ECTBP2
SCHEMBL14790053 0.85 NOTUM (0.39) CPB2CPB1ALKBH5
SCHEMBL14789635 0.81 CPB2 (0.45) CPB2CPB1
SCHEMBL14789410 0.81 CPB2 (0.40) CPB2CPB1
SCHEMBL14789426 0.81 CPB2 (0.56) CPB2CPB1HSD11B1CTBP2CA2
SCHEMBL17427960 0.80 KDM4E (0.47) CPB2CPB1HSD11B1KDM4EALKBH5
SCHEMBL14789459 0.80 MAP4K4 (0.41) CPB2CPB1HSD11B1KDM4ECTBP2
SCHEMBL14789425 0.80 CPB2 (0.41) CPB2CPB1KDM4ECTBP2

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
WO-2013039202-A1 NOVEL ACRYLIC ACID DERIVATIVE 第一三共株式会社 (JP) 2013-03-21 — — WO disclosed
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