SCHEMBL11033713

SCHEMBL11033713

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA3 P07451 3/20 0.39
CA6 P23280 3/20 0.39
CA5A P35218 3/20 0.39
CA7 P43166 3/20 0.39
CA13 Q8N1Q1 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
CA4 P22748 2/20 0.39
CA9 Q16790 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
DHODH Q02127 3/20 0.37
NR4A2 P43354 2/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL11206454 0.86 NPSR1 (0.42) HPGDSMN1; SMN2LMNAMAPTNPSR1
SCHEMBL8760700 0.79 SCN9A (0.44) CA12CA1CA2CA3CA6
SCHEMBL9706518 0.74 MAPT (0.41) HPGDSMN1; SMN2LMNAMAPTGAA
SCHEMBL11206821 0.74 DHODH (0.40) SMN1; SMN2LMNAMAPTNPSR1DHODH
SCHEMBL11206517 0.74 DHODH (0.49) LMNANPSR1DHODHNR4A2
SCHEMBL10647200 0.73 MAPT (0.46) HPGDSMN1; SMN2LMNAMAPTCA12
SCHEMBL8930017 0.73 NPC1 (0.53) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL10649866 0.72 MAPT (0.41) HPGDSMN1; SMN2LMNAMAPTGAA
SCHEMBL11130924 0.72 SLC6A2 (0.45) SMN1; SMN2LMNAMAPTNPSR1GAA
SCHEMBL8930238 0.71 LMNA (0.44) HPGDSMN1; SMN2LMNAMAPTGAA

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
JP-59172446-A None JP disclosed
JP-S59172446-A HERBICIDE NIPPON KAYAKU CO LTD 1984-09-29 JP disclosed