SCHEMBL24628353

SCHEMBL24628353

C=CC(=O)NCCSSCCNCC(=C)C=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 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
SCHEMBL18884533 0.83 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL106883 0.82 TSHR (0.54) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL21944080 0.81 ZDHHC20 (0.39) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL31224580 0.80 TSHR (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL19185872 0.76 ZDHHC20 (0.44) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL21318126 0.76 ZDHHC20 (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
Acrylamide SCHEMBL20553509 0.75 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL19215753 0.75 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL21506692 0.74 TSHR (0.52) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL2132212 0.74 TSHR (0.45) ALDH1A1TSHRMAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022150659-A1 DEVICES AND METHODS FOR ANALYZING BIOLOGICAL SAMPLES Cellanome, Inc. (US) 2022-07-14 WO disclosed