SCHEMBL2913450

SCHEMBL2913450

CCSN(SCC)C(=S)Cc1ccccc1C(=O)OC(=O)c1ccccc1CC(=S)N(SCC)SCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 2/20 0.35
SCN1A P35498 2/20 0.34
SCN2A Q99250 2/20 0.34
SCN3A Q9NY46 2/20 0.34
KMT2A Q03164 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL2912497 0.86 FOLH1 (0.41) TSHRALDH1A1LMNATDP1TP53
Hydrochloric Acid SCHEMBL2907706 0.84 FOLH1 (0.41) TSHRALDH1A1LMNATDP1TP53
SCHEMBL2912099 0.73 LOXL2 (0.40) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL739158 0.73 TSHR (0.52) TSHRALDH1A1LMNASCN1ASCN2A
SCHEMBL5654877 0.71 ALDH1A1 (0.42) ALDH1A1LMNATDP1L3MBTL1TP53
SCHEMBL13739751 0.70 BCAT2 (0.56) ALDH1A1LMNATDP1
SCHEMBL28406804 0.69 ALDH1A1 (0.53) TSHRALDH1A1LMNASCN1ASCN2A
SCHEMBL609147 0.68 TP53 (0.52) TSHRALDH1A1KMT2ATDP1L3MBTL1
SCHEMBL12814338 0.67 TSHR (0.48) TSHRALDH1A1LMNASCN1ASCN2A
SCHEMBL8512469 0.66 TSHR (0.51) TSHRALDH1A1LMNASCN1ASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507659-B2 Method for chemically modifying biopolymer and polypeptide FUJIFILM CORPORATION (JP) 2013-08-13 US claimed
EP-2221334-B1 METHOD FOR CHEMICALLY MODIFYING BIOPOLYMER AND POLYPEPTIDE FUJIFILM CORP (JP) 2016-12-28 EP disclosed
US-8507659-B2 Method for chemically modifying biopolymer and polypeptide FUJIFILM CORPORATION (JP) 2013-08-13 US disclosed
US-20100323421-A1 METHOD FOR CHEMICALLY MODIFYING BIOPOLYMER AND POLYPEPTIDE FUJIFILM CORPORATION (JP) 2010-12-23 US disclosed
EP-2221334-A1 METHOD FOR CHEMICALLY MODIFYING BIOPOLYMER OR POLYPEPTIDE FUJIFILM Corporation (JP) 2010-08-25 EP disclosed