SCHEMBL7559682

SCHEMBL7559682

CC(C)C[C@H](C(=O)NOC(C)C)C(=O)N(C)OC(=O)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
CTSB P07858 1/20 0.38
AKR1C3 P42330 1/20 0.36
ANPEP P15144 1/20 0.36
CAPN1 P07384 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL7554484 0.85 MMP3 (0.40) AKR1C3MEN1KMT2A
SCHEMBL7559368 0.83 MMP2 (0.43) MMP8
SCHEMBL7552746 0.72 MMP2 (0.48) MMP8TDP1
SCHEMBL7559383 0.71 TDP1 (0.40) TDP1
SCHEMBL27518207 0.68 TDP1 (0.61) TDP1MEN1KMT2A
SCHEMBL7365648 0.68 TDP1 (0.39) TDP1CAPN1
SCHEMBL2153187 0.66 TDP1 (0.54) TDP1MEN1KMT2A
Methyl 3-Phenylpropanoate SCHEMBL28250358 0.66 TDP1 (0.54) TDP1KMT2A
SCHEMBL3183513 0.65 TSHR (0.68) TDP1AKR1C3MEN1KMT2A
SCHEMBL24437485 0.64 TDP1 (0.51) TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925278-B1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 2002-07-17 EP claimed