SCHEMBL11201443

SCHEMBL11201443

CC(C)[C@H](Nc1ccc(F)cc1Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP7 P09237 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
MAPK1 P28482 1/20 0.43
ALOX15 P16050 4/20 0.41
PYGL P06737 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
SHMT2 P34897 1/20 0.40
DGAT1 O75907 1/20 0.39

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
SCHEMBL11201441 1.00 MAPT (0.46) MAPTALDH1A1KMT2AMEN1MMP1
SCHEMBL11201438 0.84 CA1 (0.51) MAPTALDH1A1KMT2AMEN1MMP1
SCHEMBL11201439 0.84 CA1 (0.51) MAPTALDH1A1KMT2AMEN1MMP1
SCHEMBL11202915 0.84 DGAT1 (0.48) MAPTALDH1A1KMT2AMEN1MMP1
SCHEMBL11202913 0.84 DGAT1 (0.48) MAPTALDH1A1KMT2AMEN1MMP1
SCHEMBL11201843 0.83 ALDH1A1 (0.47) MAPTALDH1A1KMT2AMEN1MMP1
SCHEMBL11201845 0.83 ALDH1A1 (0.47) MAPTALDH1A1KMT2AMEN1MMP1
SCHEMBL11193851 0.83 RAB9A (0.46) MAPTALDH1A1KMT2AMEN1MMP1
SCHEMBL11056044 0.83 RAB9A (0.46) MAPTALDH1A1KMT2AMEN1MMP1
SCHEMBL5598915 0.81 MAPT (0.65) MAPTALDH1A1KMT2AMEN1MMP1

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
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US disclosed