SCHEMBL7556277

SCHEMBL7556277

CC(C)CCC(=O)N(OC(=O)CCc1ccccc1)[C@H](CSc1cccs1)C(=O)NOC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.40
FCER2 P06734 3/20 0.40
MMP2 P08253 3/20 0.38
MMP3 P08254 2/20 0.38
MMP7 P09237 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
MMP14 P50281 2/20 0.38
ADAM17 P78536 1/20 0.38
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 2/20 0.30

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
SCHEMBL6799243 0.71 MMP1 (0.49) MMP1FCER2MMP2MMP3MMP7
SCHEMBL4421137 0.71 MMP1 (0.49) MMP1FCER2MMP2MMP3MMP7
SCHEMBL6801897 0.65 MMP1 (0.41) MMP1FCER2MMP2MMP3MMP7
Methyl 3-Phenylpropanoate SCHEMBL28250358 0.65 TDP1 (0.54) HPGDALDH1A1LMNAPKMKMT2A
SCHEMBL7559682 0.65 MMP8 (0.41) MMP8MEN1KMT2A
SCHEMBL7559383 0.62 TDP1 (0.40) MMP1FCER2MMP2MMP3MMP7
SCHEMBL7554484 0.61 MMP3 (0.40) MMP3MMP9HPGDPOLBALDH1A1
Ethyl 3-Phenylpropanoate SCHEMBL28249480 0.61 TDP1 (0.60) MAPTLMNAPKMMEN1KMT2A
SCHEMBL4573219 0.60 MMP1 (0.41) MMP1FCER2MMP2MMP3MMP7
SCHEMBL4573215 0.60 MMP1 (0.41) MMP1FCER2MMP2MMP3MMP7

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