SCHEMBL11615334

SCHEMBL11615334

CC(C)CCC(C)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 2/20 0.54
GLA P06280 1/20 0.54
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
KCNH3 Q9ULD8 1/20 0.47
HPGD P15428 1/20 0.43
ALOX12 P18054 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
SCHEMBL6670391 0.85 CA12 (0.51) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11612514 0.85 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28142388 0.83 ALDH1A1 (0.64) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8748693 0.83 MAPT (0.50) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3580929 0.82 HTT (0.50) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL39071 0.82 ALDH1A1 (0.58) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8116858 0.81 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6824926 0.81 CA12 (0.54) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6851287 0.81 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4616467 0.80 MAPT (0.59) MAPTALDH1A1MEN1KMT2ASMN1; SMN2

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-4078001-A RUBBER PRESERVATIVES MONSANTO COMPANY (US) 1978-03-07 US disclosed