SCHEMBL11206454

SCHEMBL11206454

CNC(=O)C1=C(C(=O)Nc2cc(C(=O)OC(C)C)c(Cl)cc2F)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DHODH Q02127 7/20 0.40
NR4A2 P43354 3/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
WDR5 P61964 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.36
JMJD7 P0C870 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A3 Q92570 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
PYGL P06737 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
SCHEMBL11206821 0.87 DHODH (0.40) NPSR1LMNAMAPTSMN1; SMN2DHODH
SCHEMBL11033713 0.86 HPGD (0.40) NPSR1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL11206517 0.78 DHODH (0.49) NPSR1LMNADHODHNR4A2JMJD7
SCHEMBL10647200 0.78 MAPT (0.46) LMNAMAPTHPGDSMN1; SMN2DHODH
SCHEMBL8930017 0.77 NPC1 (0.53) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL9706518 0.77 MAPT (0.41) LMNAMAPTHPGDSMN1; SMN2SLC6A2
SCHEMBL9068391 0.76 SCN9A (0.48) NPSR1
SCHEMBL8930238 0.76 LMNA (0.44) LMNAMAPTHPGDSMN1; SMN2WDR5
SCHEMBL10649866 0.75 MAPT (0.41) LMNAMAPTHPGDSMN1; SMN2SLC6A2
SCHEMBL11020212 0.75 LMNA (0.48) LMNAMAPTHPGDSMN1; SMN2SLC6A2

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
EP-0097056-A2 Herbicidal N-substituted-3,4,5,6-tetrahydrophthalamic acid derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-12-28 EP disclosed