SCHEMBL5793024

SCHEMBL5793024

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
FABP7 O15540 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
HSD11B1 P28845 1/20 0.34
ELANE P08246 1/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 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
SCHEMBL5319074 1.00 HTT (0.46) HTTFABP7L3MBTL1ALDH1A1KDM4E
SCHEMBL5794818 0.92 FABP7 (0.47) HTTFABP7L3MBTL1ALDH1A1KDM4E
SCHEMBL13666002 0.90 FABP7 (0.40) HTTFABP7L3MBTL1ALDH1A1KDM4E
SCHEMBL13526597 0.90 FABP7 (0.40) HTTFABP7L3MBTL1ALDH1A1KDM4E
SCHEMBL2051184 0.90 ALDH1A1 (0.47) HTTFABP7ALDH1A1KDM4EMEN1
SCHEMBL5541230 0.85 FABP7 (0.42) HTTFABP7L3MBTL1ALDH1A1KDM4E
SCHEMBL15681894 0.82 MAPT (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL11052486 0.82 TLR4 (0.36) HTTFABP7L3MBTL1ALDH1A1KDM4E
SCHEMBL6752744 0.82 TLR4 (0.36) HTTFABP7L3MBTL1ALDH1A1KDM4E
SCHEMBL11052484 0.82 TLR4 (0.36) HTTFABP7L3MBTL1ALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006012277-A2 BIOCATALYTIC PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED PRAMIPEXOLE AMR TECHNOLOGY, INC. (US) 2006-02-02 WO claimed
WO-2006012277-A2 BIOCATALYTIC PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED PRAMIPEXOLE AMR TECHNOLOGY, INC. (US) 2006-02-02 WO disclosed
US-6261813-B1 ACYLATING PACLITAXEL WITH BIFUNCTIONAL ACYL DONOR USING HYDROLASE TO FORM ACTIVATED ACYL ESTER OR CARBONATE, THEN ACYLATING NUCLEOPHILE WITH ACTIVATED ESTER OR CARBONATE IN PRESENCE OF HYDROLASE; IMPROVED WATER SOLUBILITY ALBANY MOLECULAR RESEARCH, INC. 2001-07-17 US disclosed