SCHEMBL7189923

SCHEMBL7189923

CCOC(=O)[C@H](Cc1ccc(N)cc1)N(C(=O)[C@H]1NC(C)(C)CS1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
HCRTR2 O43614 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 4/20 0.32
MAPT P10636 2/20 0.32
ACHE P22303 1/20 0.32
TAS2R14 Q9NYV8 1/20 0.31
MAPK1 P28482 2/20 0.31
ALOX15 P16050 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
STAT3 P40763 1/20 0.31
PPID Q08752 1/20 0.31

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
SCHEMBL6712432 0.90 MAPK1 (0.38) POLBALDH1A1KMT2AMEN1TP53
SCHEMBL6709476 0.88 MAPT (0.46) POLBALDH1A1KMT2ANPSR1MEN1
SCHEMBL7321027 0.86 CYP2D6 (0.34) ALDH1A1NPSR1TP53MAPK1ALOX15
SCHEMBL7318412 0.86 ALDH1A1 (0.37) POLBALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL7174955 0.84 KMT2A (0.42) ALDH1A1KMT2ANPSR1MEN1TP53
SCHEMBL6714501 0.83 CA9 (0.38) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL6708265 0.81 ALDH1A1 (0.44) POLBALDH1A1KMT2ANPSR1MEN1
SCHEMBL6714697 0.81 CA1 (0.33) POLBALDH1A1KMT2AMEN1MAPT
SCHEMBL3855348 0.80 MMP2 (0.33) KMT2A
SCHEMBL7421577 0.79 MMP9 (0.37) POLBALDH1A1KMT2AMEN1TP53

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
US-6583139-B1 Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-06-24 US claimed