SCHEMBL5541230

SCHEMBL5541230

O=C1CCC(C(=O)OCC(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.42
HTT P42858 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ELANE P08246 3/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 2/20 0.33
HSD11B1 P28845 1/20 0.33
TSHR P16473 1/20 0.33
MDM2 Q00987 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5793024 0.85 HTT (0.46) FABP7HTTALDH1A1KDM4EL3MBTL1
SCHEMBL5319074 0.85 HTT (0.46) FABP7HTTALDH1A1KDM4EL3MBTL1
SCHEMBL12016494 0.82 ALDH1A1 (0.32) HTTALDH1A1KDM4EL3MBTL1MEN1
SCHEMBL6036833 0.82 ALDH1A1 (0.38) HTTALDH1A1MEN1KMT2AGAA
SCHEMBL2051184 0.79 ALDH1A1 (0.47) FABP7HTTALDH1A1KDM4EMEN1
SCHEMBL5483 0.79 ALDH1A1 (0.51) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5794818 0.78 FABP7 (0.47) FABP7HTTALDH1A1KDM4EL3MBTL1
Ethylene SCHEMBL4705578 0.76 ALDH1A1 (0.49) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL13526597 0.76 FABP7 (0.40) FABP7HTTALDH1A1KDM4EL3MBTL1
SCHEMBL13666002 0.76 FABP7 (0.40) FABP7HTTALDH1A1KDM4EL3MBTL1

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-20070010632-A1 Antioxidant-functionalized polymers TRUSTEES OF TUFTS COLLEGE 2007-01-11 US disclosed
WO-2004050795-A2 ANTIOXIDANT-FUNCTIONALIZED POLYMERS TUFTS UNIVERSITY (US) 2004-06-17 WO disclosed