SCHEMBL26939701

SCHEMBL26939701

CC(C)(C#Cc1ccccc1)OC(=O)C(C)(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.42
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
FFAR1 O14842 3/20 0.36
VCP P55072 1/20 0.35
APP P05067 1/20 0.34
HAO1 Q9UJM8 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
NLRP3 Q96P20 1/20 0.33
PAM P19021 1/20 0.33

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
SCHEMBL28540489 0.83 MAPT (0.44) MAPTNPSR1FFAR1VCPAPP
SCHEMBL31454048 0.83 MAPT (0.47) MAPTNPSR1FFAR1VCPAPP
SCHEMBL38664095 0.81 MAPT (0.42) MAPTNPSR1FFAR1VCPAPP
SCHEMBL23183062 0.76 MAPT (0.42) ELANEMAPTNPSR1FFAR1VCP
SCHEMBL26939288 0.76 MAPT (0.42) MAPTNPSR1FFAR1KDM4EALDH1A1
SCHEMBL13896340 0.75 MAPT (0.41) MAPTNPSR1FFAR1KDM4EALDH1A1
SCHEMBL26939503 0.75 FFAR1 (0.38) MAPTNPSR1FFAR1VCPHAO1
SCHEMBL28977971 0.73 ALDH1A1 (0.47) MAPTNPSR1FFAR1KDM4EALDH1A1
SCHEMBL10723498 0.72 MAPT (0.50) MAPTNPSR1FFAR1VCPAPP
SCHEMBL26939902 0.71 MAPT (0.35) MAPTNPSR1FFAR1HAO1ALDH1A1

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-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed