SCHEMBL26229153

SCHEMBL26229153

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.41
CACNB3 P54284 1/20 0.41
CACNA1C Q13936 1/20 0.41
PGR P06401 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
CACNA2D2 Q9NY47 1/20 0.41
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 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
SCHEMBL288888 0.78 MME (0.41) MMEACECPA1ACE2ALDH1A1
SCHEMBL288887 0.78 MME (0.41) MMEACECPA1ACE2ALDH1A1
SCHEMBL14253414 0.77 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL1703326 0.77 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL14549906 0.76 CACNA2D1 (0.35) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL14549898 0.76 CACNA2D1 (0.35) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5961264 0.73
SCHEMBL12376991 0.73 CACNA2D1 (0.33) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL13234893 0.71 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL20705457 0.71 ALDH1A1 (0.35) MMEACECPA1ACE2ALDH1A1

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