SCHEMBL8915978

SCHEMBL8915978

CCCCCC(=O)OC(C)(C)c1cc([N+](=O)[O-])ccc1OC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
LMNA P02545 1/20 0.40
TLR2 O60603 2/20 0.38
TLR1 Q15399 2/20 0.38
MGLL Q99685 2/20 0.38
MAPT P10636 2/20 0.38
TBXA2R P21731 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL26133 0.81 RECQL (0.42) ALDH1A1TDP1LMNAMAPTGAA
SCHEMBL2153555 0.77 MEN1 (0.50) ALDH1A1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL2153552 0.77 MEN1 (0.50) ALDH1A1TDP1LMNAMAPTSMN1; SMN2
SCHEMBL9165418 0.75 ALOX15 (0.56) ALDH1A1TDP1CYSLTR2CYSLTR1BCL9
SCHEMBL9172769 0.75 ALOX15 (0.56) ALDH1A1TDP1CYSLTR2CYSLTR1BCL9
SCHEMBL9170870 0.75 ALOX15 (0.56) ALDH1A1TDP1CYSLTR2CYSLTR1BCL9
SCHEMBL24776 0.75 NR1H4 (0.41) ALDH1A1TDP1LMNAMAPTTBXA2R
SCHEMBL27988647 0.74 ALDH1A1 (0.59) ALDH1A1TDP1CYSLTR2CYSLTR1BCL9
SCHEMBL9211218 0.74 MGLL (0.38) ALDH1A1CYSLTR2CYSLTR1LMNAMGLL
SCHEMBL17048086 0.73 ALDH1A1 (0.49) ALDH1A1TDP1CYSLTR2CYSLTR1LMNA

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-5684018-A Acyloxyisopropyl carbamates as prodrugs for amine drugs MERCK & CO., INC. (US) 1997-11-04 US disclosed
WO-1996018605-A1 ACYLOXYISOPROPYL CARBAMATES AS PRODRUGS FOR AMINE DRUGS MERCK & CO., INC. (US) 1996-06-20 WO disclosed