SCHEMBL25527284

SCHEMBL25527284

CC(C)C(CC(=O)O)OC(=O)CCS

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.39
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
CYP1A2 P05177 3/20 0.35
LMNA P02545 5/20 0.34
MAPK1 P28482 4/20 0.34
GMNN O75496 3/20 0.34
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MEN1 O00255 2/20 0.34
HSP90AA1 P07900 2/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
NR1H4 Q96RI1 2/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL25527409 0.84 TSHR (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL25527286 0.82 ACE (0.40) ACEMMP1MMP2MMP3MMP9
SCHEMBL25527280 0.78 ACE (0.37) ACEMMP1MMP2MMP3MMP9
SCHEMBL25946703 0.78 MMP1 (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL26107463 0.76 ACE (0.41) ACECYP1A2LMNAMAPK1GMNN
SCHEMBL25946807 0.76 TSHR (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL25527283 0.76 CYP1A2 (0.47) ACECYP1A2LMNAMAPK1GMNN
SCHEMBL26161968 0.75 ACE (0.33) ACE
SCHEMBL5829654 0.74
SCHEMBL29449633 0.74 ACE (0.46) ACEMMP1MMP2MMP3MMP9

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
US-20230152696-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed