SCHEMBL11200596

SCHEMBL11200596

CC(C)[C@H](Nc1ccc(Br)cc1F)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.57
MMP2 P08253 4/20 0.52
MMP1 P03956 3/20 0.52
MMP3 P08254 3/20 0.52
MMP7 P09237 3/20 0.52
MMP9 P14780 3/20 0.52
MMP13 P45452 3/20 0.52
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 2/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MMP14 P50281 1/20 0.43
MAP2K1 Q02750 1/20 0.41

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
SCHEMBL11055286 1.00 FPR2 (0.57) FPR2MMP2MMP1MMP3MMP7
SCHEMBL11062424 0.87 FPR2 (0.47) FPR2MMP2MMP1MMP3MMP7
SCHEMBL11202913 0.84 DGAT1 (0.48) MMP2MMP1MMP3MMP7MMP9
SCHEMBL11202915 0.84 DGAT1 (0.48) MMP2MMP1MMP3MMP7MMP9
SCHEMBL11196969 0.83 ALDH1A1 (0.47) FPR2MMP2MMP1MMP3MMP7
SCHEMBL11056045 0.83 ALDH1A1 (0.47) FPR2MMP2MMP1MMP3MMP7
SCHEMBL16007883 0.83 FPR2 (0.77) FPR2MMP2MMP1MMP3MMP7
SCHEMBL11055269 0.82 KMT2A (0.49) FPR2MMP2MMP1MMP3MMP7
SCHEMBL11196935 0.82 KMT2A (0.49) FPR2MMP2MMP1MMP3MMP7
SCHEMBL11194098 0.79 MAPT (0.67) MMP2MMP1MMP3MMP7MMP9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4252724-A Novel compositions ZOECON CORPORATION (US) 1981-02-24 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US disclosed
US-4231953-A Fluoro substituted aryl esters and thiolesters of amino acids ZOECON CORPORATION (US) 1980-11-04 US disclosed
US-4226872-A Pyridyl esters of α-substituted amino acids ZOECON CORPORATION (US) 1980-10-07 US disclosed
US-4200758-A 2,4-Imidazolidinedionylmethyl esters and thiolesters of anilino acids ZOECON CORPORATION (US) 1980-04-29 US disclosed