SCHEMBL25527280

SCHEMBL25527280

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.37
CYP1A2 P05177 3/20 0.33
MAPK1 P28482 4/20 0.33
GMNN O75496 3/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MEN1 O00255 2/20 0.33
HSP90AA1 P07900 2/20 0.33
BLM P54132 2/20 0.33
KMT2A Q03164 2/20 0.33
NR1H4 Q96RI1 2/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
GLA P06280 1/20 0.32
PMP22 Q01453 1/20 0.32
PGD P52209 1/20 0.31
FOLH1 Q04609 2/20 0.31

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
SCHEMBL25527449 0.85 TSHR (0.37) LMNATSHRPGDMMP1MMP2
SCHEMBL25946702 0.79 MMP1 (0.33) LMNAMAPTPGDMMP1MMP2
SCHEMBL25946800 0.78 TSHR (0.39) LMNATSHRPGDMMP1MMP2
SCHEMBL25527284 0.78 ACE (0.39) ACECYP1A2MAPK1GMNNLMNA
SCHEMBL25527286 0.76 ACE (0.40) ACECYP1A2MAPK1GMNNLMNA
SCHEMBL8747739 0.75 ACE (0.39) ACELMNATSHR
SCHEMBL26107463 0.73 ACE (0.41) ACECYP1A2MAPK1GMNNLMNA
SCHEMBL25527283 0.73 CYP1A2 (0.47) ACECYP1A2MAPK1GMNNLMNA
SCHEMBL27467475 0.70 ACE (0.36) ACEMAPK1LMNAMAPT
SCHEMBL18056180 0.70 EGLN1 (0.39) LMNATSHR

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