SCHEMBL9090211

SCHEMBL9090211

Cc1c(F)c(F)cc(F)c1C(=O)OC(=O)CC=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL10587303 0.81 CA1 (0.33) CA1CA2CA4KMT2ATSHR
SCHEMBL9045396 0.81 ALDH1A1 (0.41) CA1CA2CA4KMT2ATSHR
SCHEMBL9090217 0.75 CA1 (0.36) CA1CA2CA4KMT2AGAA
SCHEMBL3939411 0.68 CA1 (0.45) CA1CA2CA4KMT2AMEN1
SCHEMBL5502158 0.67 MEN1 (0.43) CA1CA2CA4KMT2ATSHR
SCHEMBL5506097 0.67 CA1 (0.43) CA1CA2CA4
SCHEMBL3694281 0.67 CA1 (0.43) CA1CA2CA4KMT2AMEN1
SCHEMBL30417635 0.67 CA1 (0.43) CA1CA2CA4
SCHEMBL8013023 0.65 CA1 (0.38) CA1CA2CA4KMT2AMEN1
SCHEMBL9089638 0.65 MGAM (0.40) CA1CA2CA4KMT2ATSHR

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-5585491-A Antibacterial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-12-17 — — US disclosed
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