SCHEMBL10340555

SCHEMBL10340555

CCOC(=O)C(CCCCSSc1ccccn1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.52
HDAC2 Q92769 13/20 0.52
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL10340183 0.96 TDP1 (0.49) HDAC1HDAC2TDP1LMNASMN1; SMN2
SCHEMBL10340548 0.92 LMNA (0.50) HDAC1HDAC2TDP1LMNASMN1; SMN2
SCHEMBL10340339 0.85 TDP1 (0.47) HDAC1HDAC2TDP1LMNASMN1; SMN2
SCHEMBL10581036 0.84 LMNA (0.52) HDAC1HDAC2TDP1LMNASMN1; SMN2
SCHEMBL10340184 0.77 LMNA (0.50) HDAC1HDAC2LMNASMN1; SMN2KMT2A
SCHEMBL18805587 0.76 LMNA (0.62) HDAC1HDAC2LMNASMN1; SMN2MEN1
SCHEMBL10340557 0.76 LMNA (0.49) HDAC1HDAC2LMNASMN1; SMN2
SCHEMBL20648097 0.76 EHMT2 (0.46) HDAC1HDAC2LMNAMEN1KMT2A
SCHEMBL405697 0.76 EHMT2 (0.48) HDAC1HDAC2SMN1; SMN2MEN1KMT2A
SCHEMBL10340549 0.75 LMNA (0.51) HDAC1HDAC2LMNASMN1; SMN2KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196007-B1 DESMOSINE DERIVATIVES AND REAGENT FOR PREPARING ARTIFICIAL ANTIGENS JAPAN TOBACCO INC. (JP) 1990-01-10 EP disclosed
US-4841055-A Desmosine derivatives and reagent for preparing artificial antigens JAPAN TOBACCO INC. (JP) 1989-06-20 US disclosed
US-4723012-A Desmosine derivatives having a disulfide bond and preparation of artificial antigen using the same JAPAN TOBACCO INC. (JP) 1988-02-02 US disclosed
EP-0196007-A2 Desmosine derivatives and reagent for preparing artificial antigens JAPAN TOBACCO INC. (JP) 1986-10-01 EP disclosed