SCHEMBL10340557

SCHEMBL10340557

CCOC(=O)OC(=O)CCCCCSSc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
HDAC1 Q13547 13/20 0.44
HDAC2 Q92769 13/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
POLB P06746 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL10340184 0.99 LMNA (0.50) LMNAHDAC1HDAC2SMN1; SMN2ALDH1A1
SCHEMBL10340549 0.95 LMNA (0.51) LMNAHDAC1HDAC2SMN1; SMN2ALDH1A1
SCHEMBL10581045 0.91 LMNA (0.53) LMNAHDAC1HDAC2SMN1; SMN2ALDH1A1
SCHEMBL10340340 0.83 LMNA (0.46) LMNAHDAC1HDAC2SMN1; SMN2ALDH1A1
SCHEMBL18805587 0.80 LMNA (0.62) LMNAHDAC1HDAC2SMN1; SMN2ALDH1A1
SCHEMBL17686497 0.79 LMNA (0.53) LMNAHDAC1HDAC2SMN1; SMN2ALDH1A1
SCHEMBL431027 0.78 LMNA (0.67) LMNASMN1; SMN2ALDH1A1CYP4F2CYP4A11
SCHEMBL7864966 0.78 LMNA (0.67) LMNASMN1; SMN2ALDH1A1CYP4F2CYP4A11
SCHEMBL2738376 0.78 LMNA (0.49) LMNAHDAC1HDAC2SMN1; SMN2ALDH1A1
SCHEMBL15927526 0.78 ALDH1A1 (0.51) LMNAHDAC1HDAC2SMN1; SMN2ALDH1A1

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