SCHEMBL26229155

SCHEMBL26229155

C=CCOCC(O)CNCC(C)CC(CC)CN

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
KDM4E B2RXH2 1/20 0.37
CYP2D6 P10635 2/20 0.33
ADRB2 P07550 2/20 0.32
HTR1A P08908 2/20 0.32
SLC22A1 O15245 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
ACHE P22303 1/20 0.31
CA4 P22748 1/20 0.30
CA9 Q16790 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
SCHEMBL15829087 0.80 CA1 (0.50) CA1CA2CA7KDM4ECYP2D6
SCHEMBL1703326 0.80 ALDH1A1 (0.32) KDM4E
SCHEMBL2849095 0.77 CA1 (0.53) CA1CA2CA7KDM4ECYP2D6
SCHEMBL2400387 0.77 CA1 (0.61) CA1CA2CA7KDM4ECYP2D6
SCHEMBL5961264 0.76
SCHEMBL17055318 0.76 CA1 (0.52) CA1CA2CA7KDM4ECYP2D6
SCHEMBL14253414 0.74 ALDH1A1 (0.32)
SCHEMBL13234893 0.74 ALDH1A1 (0.35)
SCHEMBL18371739 0.70 ALDH1A1 (0.40) KDM4ELMNA
SCHEMBL12575018 0.70 TSHR (0.35) KDM4E

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-20240228876-A1 TREATMENT LIQUID FOR MANUFACTURING SEMICONDUCTOR AND METHOD OF TREATING OBJECT TO BE TREATED FUJIFILM CORPORATION (JP) 2024-07-11 US disclosed
US-20230287304-A1 TREATMENT LIQUID AND SUBSTRATE TREATMENT METHOD FUJIFILM CORPORATION (JP) 2023-09-14 US disclosed