SCHEMBL9427372

SCHEMBL9427372

C=C(C)C(OC(=O)Nc1cc(OC(=O)O)c(Cl)cc1F)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PYGL P06737 2/20 0.32
DHODH Q02127 6/20 0.32
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8998058 0.92 LMNA (0.34) LMNANPSR1ALDH1A1NPC1RAB9A
SCHEMBL9835450 0.90 NPSR1 (0.43) LMNANPSR1ALDH1A1NPC1RAB9A
SCHEMBL9835444 0.87 RORC (0.39) LMNANPSR1ALDH1A1NPC1RAB9A
SCHEMBL9834362 0.87 LMNA (0.34) LMNANPSR1ALDH1A1NPC1RAB9A
SCHEMBL8998061 0.83 ALDH1A1 (0.35) LMNANPSR1ALDH1A1NPC1RAB9A
SCHEMBL8998045 0.83 SCN9A (0.42) TSHR
SCHEMBL8998088 0.80 LMNA (0.34) LMNANPSR1ALDH1A1NPC1RAB9A
SCHEMBL8998090 0.80 LMNA (0.34) LMNANPSR1ALDH1A1NPC1RAB9A
SCHEMBL8998070 0.80 L3MBTL1 (0.46) LMNANPSR1ALDH1A1NPC1RAB9A
SCHEMBL9835963 0.80 RORC (0.39) LMNANPSR1ALDH1A1NPC1RAB9A

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-5344953-A Fluorobenzene derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-09-06 US disclosed