SCHEMBL14790061

SCHEMBL14790061

COc1cccc(-n2cnc(C/C(=C/CCN)C(=O)O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 4/20 0.41
▸ CPB2 Q96IY4 4/20 0.41
▸ USP30 Q70CQ3 1/20 0.38
▸ HSD11B1 P28845 2/20 0.37
▸ CTBP2 P56545 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ALKBH5 Q6P6C2 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 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
SCHEMBL14789483 0.89 CPB2 (0.41) CPB1CPB2HSD11B1CTBP2CA2
SCHEMBL14790056 0.88 CPB2 (0.40) CPB1CPB2HSD11B1CTBP2CA2
SCHEMBL14789403 0.86 CPB2 (0.51) CPB1CPB2USP30
SCHEMBL14790053 0.83 NOTUM (0.39) CPB1CPB2USP30ALKBH5
SCHEMBL14789411 0.81 CPB2 (0.41) CPB1CPB2CTBP2
SCHEMBL14789635 0.80 CPB2 (0.45) CPB1CPB2
SCHEMBL14789410 0.79 CPB2 (0.40) CPB1CPB2
SCHEMBL14789459 0.78 MAP4K4 (0.41) CPB1CPB2HSD11B1CTBP2LMNA
SCHEMBL14789425 0.78 CPB2 (0.41) CPB1CPB2CTBP2LMNA
SCHEMBL14789624 0.78 CPB2 (0.56) CPB1CPB2LMNA

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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