SCHEMBL5489268

SCHEMBL5489268

CCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.47
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
TLR2 O60603 2/20 0.44
TLR1 Q15399 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
HTT P42858 2/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43

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
SCHEMBL8896631 0.97 ALDH1A1 (0.53) ALDH1A1LMNAPOLBGAASMN1; SMN2
SCHEMBL27925180 0.83 MMP1 (0.45) ALDH1A1LMNAPOLBGAAMEN1
SCHEMBL16351744 0.81 CYP19A1 (0.50) ALDH1A1LMNAGAASMN1; SMN2MEN1
SCHEMBL6349776 0.80 MEN1 (0.63) ALDH1A1LMNAPOLBSMN1; SMN2MEN1
SCHEMBL9172769 0.78 ALOX15 (0.56) ALDH1A1LMNASMN1; SMN2BCL9CTNNB1
SCHEMBL9165418 0.78 ALOX15 (0.56) ALDH1A1LMNASMN1; SMN2BCL9CTNNB1
SCHEMBL9170870 0.78 ALOX15 (0.56) ALDH1A1LMNASMN1; SMN2BCL9CTNNB1
SCHEMBL15856240 0.78 NPC1 (0.50) ALDH1A1LMNAPOLBGAASMN1; SMN2
SCHEMBL7399739 0.78 POLB (0.48) ALDH1A1LMNAPOLBGAASMN1; SMN2
SCHEMBL27988647 0.77 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2BCL9CTNNB1

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-7294615-B1 Compounds that associate on the intermolecular level and aggregate bodies that contain them Bovin, Nikolai Vladimirovich (RU) 2007-11-13 US disclosed