SCHEMBL10340340

SCHEMBL10340340

CCOC(=O)OC(=O)CCCCCC(C)SSc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.39
HDAC1 Q13547 7/20 0.36
HDAC2 Q92769 7/20 0.36
POLB P06746 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
HDAC4 P56524 1/20 0.35
MEF2D Q14814 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 3/20 0.33

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
SCHEMBL10340557 0.83 LMNA (0.49) LMNASMN1; SMN2HDAC1HDAC2POLB
SCHEMBL10340549 0.82 LMNA (0.51) LMNASMN1; SMN2HDAC1HDAC2POLB
SCHEMBL10340184 0.81 LMNA (0.50) LMNASMN1; SMN2HDAC1HDAC2POLB
SCHEMBL10340339 0.81 TDP1 (0.47) LMNASMN1; SMN2HDAC1HDAC2POLB
SCHEMBL10340283 0.78 LMNA (0.37) LMNASMN1; SMN2HDAC1HDAC2MEN1
SCHEMBL10581045 0.78 LMNA (0.53) LMNASMN1; SMN2HDAC1HDAC2POLB
SCHEMBL10340552 0.78 LMNA (0.34) LMNASMN1; SMN2HDAC1HDAC2MEN1
SCHEMBL1655486 0.74 LMNA (0.38) LMNASMN1; SMN2POLBMEN1KMT2A
SCHEMBL26110443 0.73 LMNA (0.48) LMNASMN1; SMN2HDAC1HDAC2POLB
SCHEMBL16132816 0.73 ALDH1A1 (0.54) LMNASMN1; SMN2POLBMEN1KMT2A

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