SCHEMBL25736775

SCHEMBL25736775

CC(C)(C)OC(=O)NC(C(=O)OCCS)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.58
CTSS P25774 3/20 0.58
MAPT P10636 1/20 0.44
S1PR3 Q99500 1/20 0.44
ATM Q13315 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL16789064 0.87 CTSK (0.56) CTSKCTSSMAPTS1PR3
SCHEMBL11638583 0.86 CTSK (0.60) CTSKCTSSS1PR3
SCHEMBL11638585 0.86 CTSK (0.60) CTSKCTSSS1PR3
SCHEMBL16789067 0.85 CTSK (0.54) CTSKCTSSMAPTS1PR3
SCHEMBL27833801 0.85 CTSK (0.62) CTSKCTSSMAPTS1PR3ATM
SCHEMBL10240502 0.85 CTSK (0.62) CTSKCTSSMAPTS1PR3ATM
SCHEMBL18435386 0.84 CTSK (0.64) CTSKCTSSMAPTS1PR3ATM
SCHEMBL9089121 0.84 CTSK (0.61) CTSKCTSSMAPTS1PR3ATM
SCHEMBL1951343 0.83 CTSK (0.63) CTSKCTSSMAPTS1PR3ATM
SCHEMBL1095762 0.83 CTSK (0.63) CTSKCTSSMAPTS1PR3ATM

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-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed
US-20230152698-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed