SCHEMBL8520922

SCHEMBL8520922

CC/C(=C\c1ccc(NC(=O)c2cccc(-c3ccccc3NC(=N)N)c2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
NR1H4 Q96RI1 2/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
ALDH1A1 P00352 4/20 0.40
F10 P00742 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
EPHX2 P34913 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
F2R P25116 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
UGCG Q16739 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL8520931 0.86 FFAR1 (0.49) FFAR1NR1H4ALDH1A1EPHX2MEN1
SCHEMBL8520753 0.84 KMT2A (0.48) NR1H4PLAUPLATPRSS1EPHX2
SCHEMBL8520923 0.80 CA12 (0.47) FFAR1NR1H4ALDH1A1MEN1KMT2A
SCHEMBL8520762 0.77 KMT2A (0.44) FFAR1NR1H4ALDH1A1EPHX2MEN1
SCHEMBL7572346 0.70 ITGB3 (0.50) PLAUALDH1A1MEN1KMT2AKCNK3
SCHEMBL7498232 0.69 NR1H4 (0.41) NR1H4PLAUALDH1A1MEN1KMT2A
SCHEMBL8520925 0.69 PLAU (0.49) NR1H4PLAUPLATF10F2R
SCHEMBL7506955 0.68 KMT2A (0.50) PLAUPLATPRSS1MEN1KMT2A
SCHEMBL7497380 0.68 KMT2A (0.50) PLAUPLATPRSS1MEN1KMT2A
SCHEMBL8538573 0.68 EPHX2 (0.41) ALDH1A1EPHX2MEN1KMT2AKCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894084-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1999-02-03 EP claimed
WO-1997036860-A1 CINNAMIC ACID DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS G.D. SEARLE & CO. (US) 1997-10-09 WO claimed