SCHEMBL8980443

SCHEMBL8980443

C=C(C)C(=O)N[C@@H](CCSC)C(=O)NC(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.51
MMP8 P22894 6/20 0.51
MMP14 P50281 4/20 0.51
POLB P06746 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
ANPEP P15144 1/20 0.46
MAPT P10636 1/20 0.45
NPY1R P25929 2/20 0.45
NPY5R Q15761 1/20 0.45

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
SCHEMBL9561831 0.81 MMP9 (0.74) MMP9MMP8MMP14POLBCTDSP1
SCHEMBL1629333 0.78 KDM4E (0.55) MMP9MMP8POLBCTDSP1MEN1
SCHEMBL4953516 0.78 KDM4E (0.55) MMP9MMP8POLBCTDSP1MEN1
SCHEMBL8988836 0.78 KDM4E (0.55) MMP9MMP8POLBCTDSP1MEN1
SCHEMBL7313421 0.77 POLB (0.55) MMP9MMP8MMP14POLBCTDSP1
SCHEMBL7313409 0.77 POLB (0.55) MMP9MMP8MMP14POLBCTDSP1
SCHEMBL6156715 0.75 TGFBR1 (0.61) ALDH1A1
SCHEMBL6156710 0.75 TGFBR1 (0.61) ALDH1A1
SCHEMBL8375419 0.71 TGFBR1 (0.46) MEN1KMT2AALDH1A1
SCHEMBL2325127 0.71 LTA4H (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0545168-B1 Optically active polymer beads containing a filler BAYER AG (DE) 1996-04-24 EP disclosed
US-5348656-A Adsorbants for optical resolution BAYER AKTIENGESELLSCHAFT (DE) 1994-09-20 US disclosed
EP-0545168-A1 Optically active polymer beads containing a filler BAYER AG (DE) 1993-06-09 EP disclosed