SCHEMBL25527283

SCHEMBL25527283

CCC(CC(=O)O)OC(=O)CCS

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
MAPK1 P28482 5/20 0.46
LMNA P02545 5/20 0.46
MAPT P10636 5/20 0.46
GMNN O75496 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 3/20 0.46
TSHR P16473 3/20 0.46
HSP90AA1 P07900 2/20 0.46
BLM P54132 2/20 0.46
NR1H4 Q96RI1 2/20 0.46
CYP2C9 P11712 2/20 0.46
HIF1A Q16665 2/20 0.46
GLA P06280 1/20 0.45
PMP22 Q01453 1/20 0.45
ACE P12821 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL14871951 0.85 CYP1A2 (0.54) CYP1A2MAPK1LMNAMAPTGMNN
SCHEMBL25527412 0.85 CYP1A2 (0.42) CYP1A2MAPK1LMNAMAPTGMNN
SCHEMBL18485299 0.81 CYP1A2 (0.64) CYP1A2MAPK1LMNAMAPTGMNN
SCHEMBL15354284 0.80 MEN1 (0.46) CYP1A2MAPK1LMNAMAPTGMNN
SCHEMBL12136517 0.80 MEN1 (0.46) CYP1A2MAPK1LMNAMAPTGMNN
Hydrochloric Acid SCHEMBL9172277 0.80 MAPT (0.67) CYP1A2MAPK1LMNAMAPTGMNN
SCHEMBL19885201 0.79 LMNA (0.72) CYP1A2MAPK1LMNAMAPTGMNN
SCHEMBL12189519 0.79 CYP1A2 (0.44) CYP1A2MAPK1LMNAMAPTGMNN
SCHEMBL18485858 0.77 MMP1 (0.50) CYP1A2MAPK1LMNAMAPTGMNN
SCHEMBL25527286 0.77 ACE (0.40) CYP1A2MAPK1LMNAMAPTGMNN

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