SCHEMBL7970973

SCHEMBL7970973

COC(=O)C(I)CCCI

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.32
CA14 Q9ULX7 1/20 0.31
ABCB1 P08183 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
SCHEMBL7960205 0.96 ZDHHC7 (0.40) CA1CA2ZDHHC7SMN1; SMN2TSHR
SCHEMBL2865718 0.91 ZDHHC7 (0.45) CA1CA2ZDHHC7SMN1; SMN2TSHR
SCHEMBL6760312 0.91 CA1 (0.43) CA1CA2ZDHHC7SMN1; SMN2TSHR
SCHEMBL7068071 0.88
SCHEMBL2859567 0.85 SMN1; SMN2 (0.42) CA1CA2ZDHHC7SMN1; SMN2TSHR
SCHEMBL3813450 0.84 CA2 (0.59) CA1CA2ZDHHC7TSHRABCB1
SCHEMBL21782585 0.83 CPB2 (0.43) CA1CA2ZDHHC7
SCHEMBL10796927 0.83 ZDHHC7 (0.58) CA1CA2ZDHHC7ABCB1
SCHEMBL27962387 0.81 ZDHHC7 (0.61) CA1CA2ZDHHC7ABCB1
SCHEMBL3813654 0.81 ZDHHC7 (0.61) CA1CA2ZDHHC7ABCB1

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
US-6172234-B1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-09 US disclosed
EP-0976729-A1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed