SCHEMBL10340339

SCHEMBL10340339

CCOC(=O)C(CCCCC(C)SSc1ccccn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 2/20 0.39
MMP8 P22894 1/20 0.38
POLB P06746 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL10340555 0.85 HDAC1 (0.52) TDP1LMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL10340183 0.84 TDP1 (0.49) TDP1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL10340548 0.81 LMNA (0.50) TDP1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL10340340 0.81 LMNA (0.46) LMNASMN1; SMN2MEN1KMT2AGAA
SCHEMBL10581036 0.78 LMNA (0.52) TDP1LMNASMN1; SMN2PKMMEN1
SCHEMBL24393527 0.77 EHMT2 (0.48) TDP1LMNASMN1; SMN2PKMMEN1
SCHEMBL26110443 0.77 LMNA (0.48) TDP1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL16132816 0.76 ALDH1A1 (0.54) TDP1LMNASMN1; SMN2PKMMEN1
SCHEMBL1395632 0.76 ALDH1A1 (0.54) TDP1LMNASMN1; SMN2PKMMEN1
SCHEMBL16710880 0.76 EHMT2 (0.47) TDP1LMNASMN1; SMN2PKMMEN1

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