SCHEMBL24628488

SCHEMBL24628488

C=CC(=O)NCCOC(=O)CCSSCCC(=O)OCCN

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.33
TGM2 P21980 1/20 0.32

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
SCHEMBL22820647 0.93 TSHR (0.39) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL24628489 0.87 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL24852803 0.86 ZDHHC20 (0.41) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL21318148 0.83 KDM4E (0.35) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL22861294 0.82 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL20380058 0.81 TSHR (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL20380059 0.79 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL24614114 0.78 ZDHHC20 (0.46) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL26478808 0.75 ZDHHC20 (0.51) ALDH1A1TSHRMAPK1TDP1ZDHHC20
SCHEMBL10080347 0.75 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230001413-A1 DEVICES AND METHODS FOR ANALYZING BIOLOGICAL SAMPLES Cellanome, Inc. 2023-01-05 US disclosed
WO-2022150659-A1 DEVICES AND METHODS FOR ANALYZING BIOLOGICAL SAMPLES Cellanome, Inc. (US) 2022-07-14 WO disclosed