SCHEMBL22726430

SCHEMBL22726430

COC(c1ccc(Cl)c(Cl)c1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.47
SLC6A2 P23975 9/20 0.47
SLC6A3 Q01959 9/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
IDO2 Q6ZQW0 1/20 0.40
AHR P35869 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38

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
SCHEMBL15929847 0.82 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3ALDH1A1LMNA
SCHEMBL22964351 0.79 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3ALDH1A1LMNA
SCHEMBL22964356 0.79 SLC6A4 (0.50) SLC6A4SLC6A2SLC6A3ALDH1A1LMNA
SCHEMBL23296778 0.78 THRB (0.42) SLC6A4SLC6A2SLC6A3ALDH1A1IDO1
SCHEMBL11397144 0.77 SLC6A2 (0.51) SLC6A4SLC6A2SLC6A3ALDH1A1LMNA
SCHEMBL11390760 0.75 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3ALDH1A1LMNA
SCHEMBL15929859 0.74 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3ALDH1A1LMNA
SCHEMBL17084188 0.74 AHR (0.46) SLC6A4SLC6A2SLC6A3ALDH1A1LMNA
SCHEMBL17069194 0.74 AHR (0.46) SLC6A4SLC6A2SLC6A3ALDH1A1LMNA
SCHEMBL1988446 0.74 AHR (0.46) SLC6A4SLC6A2SLC6A3ALDH1A1LMNA

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
WO-2020243008-A1 SENSORS AND METHODS FOR RAPID MICROBIAL DETECTION BAMBU VAULT LLC (US) 2020-12-03 WO disclosed