SCHEMBL26044860

SCHEMBL26044860

CC(C)CC(C)OC(C)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.35
SLC7A5 Q01650 1/20 0.35
ANPEP P15144 4/20 0.33
LAP3 P28838 4/20 0.33
ERAP1 Q9NZ08 1/20 0.33
TSHR P16473 3/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP19A1 P11511 1/20 0.31
KISS1R Q969F8 2/20 0.30
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
CACNA2D2 Q9NY47 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30

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
SCHEMBL8421764 0.87 RNPEP (0.31) RNPEPSLC7A5ANPEPLAP3ERAP1
SCHEMBL887748 0.81 MAPK1 (0.44) RNPEPSLC7A5ANPEPLAP3ERAP1
Barium SCHEMBL10821630 0.78 MAPK1 (0.42) RNPEPSLC7A5ANPEPLAP3ERAP1
SCHEMBL18883358 0.75 MAPK1 (0.35) RNPEPSLC7A5ANPEPLAP3ERAP1
SCHEMBL12766261 0.75 MAPK1 (0.35) RNPEPSLC7A5ANPEPLAP3ERAP1
SCHEMBL7961211 0.73 MAPK1 (0.33) RNPEPSLC7A5TSHRMAPK1ALDH1A1
SCHEMBL11018582 0.73
SCHEMBL39069 0.73
SCHEMBL5765053 0.72 THRB (0.35) TSHRMAPK1ALDH1A1
1,4-Butanediol SCHEMBL5163849 0.72 SMN1; SMN2 (0.35) RNPEPSLC7A5ANPEPLAP3ERAP1

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
EP-4235893-A1 ELECTROCHEMICAL DEVICE AND ELECTRONIC DEVICE COMPRISING SAME Ningde Amperex Technology Limited (CN) 2023-08-30 EP disclosed
CN-107109201-B Polymer composition 雪佛龙美国公司 2020-12-08 CN disclosed