SCHEMBL11056044

SCHEMBL11056044

Cc1ccc(NC(C(=O)O)C(C)C)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
CRHR1 P34998 5/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11193851 1.00 RAB9A (0.46) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL11056480 0.88 RAB9A (0.46) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL11201439 0.86 CA1 (0.51) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL11201438 0.86 CA1 (0.51) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL11198213 0.84 MAPK1 (0.49) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL11198216 0.84 MAPK1 (0.49) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL11201443 0.83 MAPT (0.46) MAPTALDH1A1MEN1KMT2AMMP1
SCHEMBL11201441 0.83 MAPT (0.46) MAPTALDH1A1MEN1KMT2AMMP1
SCHEMBL11196969 0.81 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2ACRHR1
SCHEMBL11056045 0.81 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2ACRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4464307-A Substituted acid chloride process ZOECON CORPORATION (US) 1984-08-07 US disclosed
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