SCHEMBL14608855

SCHEMBL14608855

CS(=O)(=O)CCCCNCCCOS(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ RELA Q04206 4/20 0.33
▸ TP53 P04637 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
SCHEMBL27700119 0.90 TSHR (0.64) ALDH1A1LMNATSHRKDM4EUSP2
Improsulfan SCHEMBL27654142 0.88 TSHR (0.61) ALDH1A1LMNATSHRKDM4EUSP2
Improsulfan SCHEMBL8954 0.88 USP2 (0.67) ALDH1A1LMNATSHRKDM4EUSP2
Improsulfan SCHEMBL10628525 0.86 USP2 (0.64) ALDH1A1LMNATSHRKDM4EUSP2
Improsulfan SCHEMBL5886799 0.86 TSHR (0.71) ALDH1A1LMNATSHRKDM4EUSP2
Improsulfan SCHEMBL844581 0.86 USP2 (0.64) ALDH1A1LMNATSHRKDM4EUSP2
SCHEMBL31599480 0.83 TSHR (0.75) ALDH1A1LMNATSHRKDM4EUSP2
SCHEMBL14608856 0.81 TSHR (0.71) ALDH1A1LMNATSHRKDM4EUSP2
SCHEMBL21616872 0.81 TSHR (0.71) ALDH1A1LMNATSHRKDM4EUSP2
SCHEMBL223147 0.81 USP2 (0.70) ALDH1A1LMNATSHRKDM4EUSP2

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
EP-1754712-A2 Transcobalamin binding conjugates useful for treating abnormal cellular proliferation MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2007-02-21 — — EP disclosed
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