SCHEMBL9101075

SCHEMBL9101075

CC(C)(C)c1cc(C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.51
NAALAD2 Q9Y3Q0 2/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
BACE1 P56817 9/20 0.42
BACE2 Q9Y5Z0 2/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 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
SCHEMBL7898816 0.89 HDAC3 (0.41) FOLH1HDAC3HDAC4HDAC1HDAC7
SCHEMBL28711871 0.86 FOLH1 (0.57) FOLH1NAALAD2HDAC3HDAC4HDAC1
SCHEMBL7261799 0.81 MMP1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL159463 0.80 NAALAD2 (0.69) FOLH1NAALAD2SLC7A5NPY1RNPY2R
SCHEMBL159464 0.80 NAALAD2 (0.69) FOLH1NAALAD2SLC7A5NPY1RNPY2R
SCHEMBL27412431 0.80 NAALAD2 (0.69) FOLH1NAALAD2SLC7A5NPY1RNPY2R
SCHEMBL25471861 0.79 FOLH1 (0.47) FOLH1NAALAD2HDAC3HDAC4HDAC1
SCHEMBL24454639 0.78 FNTA (0.43)
SCHEMBL31064856 0.78 NAALAD2 (0.66) FOLH1NAALAD2BACE1BACE2SLC7A5
SCHEMBL30163162 0.77 MME (0.60) FOLH1NAALAD2CA2MMEACE

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
EP-0728018-A1 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013095-A2 THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-18 WO disclosed