SCHEMBL11745488

SCHEMBL11745488

CC(C(O)c1ccc(C(C)(C)C)cc1)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
NR1H4 Q96RI1 2/20 0.39
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GRIA4 P48058 2/20 0.37
TYR P14679 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CNR1 P21554 1/20 0.35
GRIN2B Q13224 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL11798974 0.82 TYR (0.42) LMNAALDH1A1KDM4ETYRMAPT
SCHEMBL11795819 0.80 ACHE (0.42) LMNAALDH1A1KDM4ETSHRHSD17B10
SCHEMBL11745586 0.79 ALDH1A1 (0.40) LMNAALDH1A1KDM4ETSHRHSD17B10
SCHEMBL18116758 0.79 ALDH1A1 (0.53) LMNAALDH1A1KDM4ETSHRHSD17B10
SCHEMBL8670434 0.78 KDM4E (0.50) LMNAALDH1A1KDM4ETSHRHSD17B10
SCHEMBL5608985 0.78 GRIA4 (0.41) LMNAALDH1A1NR1H4TSHRGRIA4
SCHEMBL8432973 0.78 KDM4E (0.50) LMNAALDH1A1KDM4ETSHRHSD17B10
SCHEMBL8431549 0.78 KDM4E (0.50) LMNAALDH1A1KDM4ETSHRHSD17B10
SCHEMBL1357640 0.78 KDM4E (0.50) LMNAALDH1A1KDM4ETSHRHSD17B10
SCHEMBL3692155 0.77 LMNA (0.52) LMNAALDH1A1NR1H4TSHRHSD17B10

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-4004023-A 1-(4-Butylphenyl)-1-(3,4-methylenedioxyphenyl)-2-nitroalkanes and synergistic insecticidal mixtures therewith MOBIL OIL CORPORATION (US) 1977-01-18 US disclosed
US-3995063-A BIODEGRADABLE MOBIL OIL CORPORATION (US) 1976-11-30 US disclosed