SCHEMBL9767984

SCHEMBL9767984

O=C(O)CC(=O)OCc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.50
POLB P06746 1/20 0.47
KMT2A Q03164 7/20 0.46
MEN1 O00255 5/20 0.46
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL3229064 0.82 HSD17B10 (0.49) FFAR4POLBKMT2AMEN1HSD17B10
SCHEMBL26343383 0.81 FFAR4 (0.52) FFAR4POLBKMT2AMEN1HSD17B10
SCHEMBL9767953 0.80 FFAR4 (0.47) FFAR4POLBKMT2AMEN1HSD17B10
SCHEMBL9767892 0.79 KMT2A (0.46) FFAR4POLBKMT2AMEN1HSD17B10
SCHEMBL2528182 0.78 CYP1A2 (0.64) FFAR4KMT2AMEN1HSD17B10MAPT
SCHEMBL3266897 0.78 CYP1A2 (0.64) FFAR4KMT2AMEN1HSD17B10MAPT
SCHEMBL28695929 0.78 HSD17B10 (0.58) FFAR4KMT2AMEN1HSD17B10MAPT
SCHEMBL1554845 0.77 ALDH1A1 (0.55) MAPTALDH1A1MAPK1
Water SCHEMBL6057599 0.77 CYP1A2 (0.62) FFAR4KMT2AMEN1HSD17B10MAPT
SCHEMBL14439930 0.76 POLB (0.50) POLBKMT2AMEN1HSD17B10MAPT

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-5013354-A Tetrahydrophthalimido group, herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-05-07 US disclosed