SCHEMBL6092422

SCHEMBL6092422

CCOC(=O)C1(CF)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
OPRM1 P35372 3/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL1752084 0.90 ALDH1A1 (0.39) SMN1; SMN2POLBALDH1A1MEN1KMT2A
SCHEMBL1142569 0.84 SMN1; SMN2 (0.39) SMN1; SMN2POLBKDM4EALDH1A1MEN1
SCHEMBL15105602 0.83 SMN1; SMN2 (0.36) SMN1; SMN2POLBALDH1A1MEN1KMT2A
SCHEMBL2185965 0.82 CYP4F2 (0.40) SMN1; SMN2POLBKDM4EALDH1A1MEN1
SCHEMBL17454 0.82 SMN1; SMN2 (0.40) SMN1; SMN2POLBKDM4EALDH1A1MEN1
SCHEMBL8394595 0.81 SMN1; SMN2 (0.37) SMN1; SMN2POLBKDM4EALDH1A1MEN1
SCHEMBL8391610 0.81 SMN1; SMN2 (0.37) SMN1; SMN2POLBKDM4EALDH1A1MEN1
SCHEMBL16838736 0.81 CYP1A2 (0.38) SMN1; SMN2POLBKDM4EALDH1A1MEN1
SCHEMBL2123 0.81 CYP1A2 (0.38) SMN1; SMN2POLBKDM4EALDH1A1MEN1
SCHEMBL17162705 0.80 POLB (0.39) SMN1; SMN2POLBALDH1A1MEN1KMT2A

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
WO-2006064286-A1 CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2006-06-22 WO disclosed
WO-2006064286-A1 CATHEPSIN S INHIBITORS MEDIVIR UK LTD (GB) 2006-06-22 WO disclosed