SCHEMBL30452407

SCHEMBL30452407

C=CC(=O)NNCCSSCCNNC(=O)C=C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL29037561 0.91 TSHR (0.36) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL106883 0.77 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL1727586 0.76
SCHEMBL29240011 0.76
SCHEMBL31224580 0.76 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
Bromide SCHEMBL4449401 0.74 ZDHHC20 (0.47) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL588626 0.74 TSHR (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL31596260 0.74 TSHR (0.39) TSHRALDH1A1MAPK1TDP1ZDHHC20
Hydrochloric Acid SCHEMBL4442928 0.74 ZDHHC20 (0.47) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL5682114 0.72 ZDHHC20 (0.55) TSHRZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118725192-A Transparent photochromic hydrogel and preparation method thereof 扬州大学 2024-10-01 CN claimed
CN-114276568-B Chitosan material and preparation method and application thereof 北京建工环境修复股份有限公司 2023-07-25 CN disclosed