SCHEMBL8636658

SCHEMBL8636658

NCC(=O)NCC(=O)c1ccc(C(OC(=O)[C@H](N)CS)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.38
ALDH1A1 P00352 5/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KIF11 P52732 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
RECQL P46063 1/20 0.32
MAPK1 P28482 1/20 0.32
LTA4H P09960 2/20 0.31
USP2 O75604 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
SCHEMBL8531430 0.81 MMP2 (0.42) MMP2ALDH1A1ALOX12SMN1; SMN2KIF11
SCHEMBL232514 0.81 KIF11 (0.42) MMP2KIF11CYP1A2
SCHEMBL28779165 0.74 CYP3A4 (0.43) MMP2KIF11KMT2ACYP1A2CYP3A4
SCHEMBL1899105 0.71 KIF11 (0.44) KIF11CYP1A2
SCHEMBL6072849 0.70 KIF11 (0.55) ALDH1A1KIF11
SCHEMBL9042463 0.70 KMT2A (0.38) KIF11KMT2A
SCHEMBL3318601 0.69 KIF11 (0.48) MMP2KIF11
SCHEMBL7486605 0.67 KIF11 (0.42) KIF11CYP1A2
SCHEMBL7486608 0.67 KIF11 (0.42) KIF11CYP1A2LTA4H
SCHEMBL20553873 0.66 KIF11 (0.41) ALDH1A1SMN1; SMN2KIF11MAPTKMT2A

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-5814299-A Radiolabeled glucans comprising a single thiol containing moiety DIATIDE, INC. (US) 1998-09-29 US disclosed