SCHEMBL9315112

SCHEMBL9315112

CCOC(=O)C(C)OC(=O)C1C=CC=CC1(Oc1ccc(C(F)(F)F)cc1Cl)[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TTR P02766 1/20 0.35
PPOX P50336 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
PPARD Q03181 2/20 0.33
FFAR1 O14842 1/20 0.33
PPARA Q07869 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL9863803 0.81 MEN1 (0.44) MRGPRX4KMT2AMEN1TTRPPOX
SCHEMBL10822592 0.80 MEN1 (0.35) MRGPRX4KMT2AMEN1TTRPPOX
SCHEMBL4007944 0.71 MRGPRX4 (0.51) MRGPRX4KMT2AMEN1PPOXPTGDR2
SCHEMBL10517340 0.68 TDP1 (0.37) MRGPRX4KMT2ATTRTDP1
Lactofen SCHEMBL30359837 0.68 MEN1 (0.66) MRGPRX4KMT2AMEN1TTRPPOX
Lactofen SCHEMBL30606811 0.68 MEN1 (0.66) MRGPRX4KMT2AMEN1TTRPPOX
Lactofen SCHEMBL39523 0.68 MEN1 (0.66) MRGPRX4KMT2AMEN1TTRPPOX
Lactofen SCHEMBL29462400 0.68 MEN1 (0.66) MRGPRX4KMT2AMEN1TTRPPOX
Lactofen SCHEMBL8536001 0.68 MEN1 (0.66) MRGPRX4KMT2AMEN1TTRPPOX
Lactofen SCHEMBL9796531 0.68 MEN1 (0.66) MRGPRX4KMT2AMEN1TTRPPOX

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-5300676-A Herbicidal fluorine-substituted alpha-(5-aryloxynaphthalen-1-yl-oxy)-propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed