SCHEMBL11201722

SCHEMBL11201722

CC(C)C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
GAA P10253 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.47
VCAM1 P19320 1/20 0.47
P2RX1 P51575 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL11201726 1.00 MAPT (0.56) MAPTMEN1KMT2ALMNAHTT
SCHEMBL11196619 0.81 MMP8 (0.50) MAPTMEN1KMT2ALMNAHTT
SCHEMBL11196634 0.81 MMP8 (0.50) MAPTMEN1KMT2ALMNAHTT
SCHEMBL11200962 0.79 S1PR1 (0.44) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL11200964 0.79 S1PR1 (0.44) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL11193752 0.78 AR (0.64) MAPTLMNAHTTCYP1A2CYP3A4
SCHEMBL11193757 0.78 AR (0.64) MAPTLMNAHTTCYP1A2CYP3A4
SCHEMBL7578041 0.77 ALDH1A1 (0.60) MAPTMEN1KMT2ALMNAHTT
SCHEMBL11200354 0.77 IDO1 (0.41) MAPTLMNAKDM4E
SCHEMBL11198230 0.77 FPR2 (0.46) MAPTMEN1KMT2ALMNAHTT

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-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US disclosed