SCHEMBL7197347

SCHEMBL7197347

CC(=O)OCC(CCCBr)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.44
TDP1 Q9NUW8 1/20 0.43
AR P10275 1/20 0.37
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
CYP1A2 P05177 1/20 0.33
HRH1 P35367 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
SCHEMBL11817899 0.89 TDP1 (0.50) PRKCATDP1ARGAAALDH1A1
SCHEMBL19257812 0.88 TDP1 (0.52) PRKCATDP1ARGAAALDH1A1
SCHEMBL16684801 0.83 ALDH1A1 (0.47) PRKCATDP1ARGAAALDH1A1
SCHEMBL8362346 0.81 PRKCA (0.55) PRKCATDP1ALDH1A1LMNAPRKCE
SCHEMBL14185499 0.81 PRKCA (0.39) PRKCALMNASMN1; SMN2MEN1KMT2A
SCHEMBL19257811 0.81 PRKCA (0.50) PRKCATDP1ARPRKCEPRKCQ
SCHEMBL29032605 0.80 TDP1 (0.48) PRKCATDP1ARGAAALDH1A1
SCHEMBL3505846 0.80 PRKCA (0.58) PRKCAALDH1A1LMNAPRKCEPRKCQ
Ethylene SCHEMBL11104304 0.80 PRKCA (0.50) PRKCATDP1ALDH1A1LMNACYP3A4
SCHEMBL10796873 0.80 PRKCA (0.58) PRKCAALDH1A1LMNAPRKCEPRKCQ

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
US-6579981-B1 Treating herpes virus NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2003-06-17 US disclosed