SCHEMBL28640933

SCHEMBL28640933

CC(C)OC(=O)N[C@H](C(=O)N[C@H](CC(=O)O)Cc1ccc(Cl)cc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.50
MMEL1 Q495T6 4/20 0.43
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.41
FDFT1 P37268 1/20 0.41
HSD17B10 Q99714 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL336943 0.81 KMT2A (0.53) KMT2ALMNAPOLBMAPK1
SCHEMBL3001125 0.81 KMT2A (0.53) KMT2ALMNAPOLBMAPK1
SCHEMBL3963100 0.81 KMT2A (0.53) KMT2ALMNAPOLBMAPK1
SCHEMBL21932912 0.81 NOS2 (0.47) KMT2ALMNAPOLBTSHRHSD17B10
SCHEMBL28394175 0.81 NOS2 (0.47) KMT2ALMNAPOLBTSHRHSD17B10
SCHEMBL159980 0.81 NOS2 (0.47) KMT2ALMNAPOLBTSHRHSD17B10
SCHEMBL9178662 0.76 KMT2A (0.71) KMT2ALMNAPOLBTSHRMEN1
SCHEMBL9175842 0.76 KMT2A (0.71) KMT2ALMNAPOLBTSHRMEN1
SCHEMBL8771916 0.76 LMNA (0.43) KMT2ALMNAPOLBTSHRHSD17B10
SCHEMBL7563131 0.75 PRCP (0.46) KMT2ALMNAPOLBMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115606598-A Fungicidal composition and method for controlling harmful fungi 石原产业株式会社 2023-01-17 CN disclosed
CN-113598173-B Fungicidal composition and method for controlling harmful fungi 石原产业株式会社 2022-11-04 CN disclosed
CN-113598173-A Fungicidal composition and method for controlling harmful fungi 石原产业株式会社 2021-11-05 CN disclosed
CN-109673644-B Fungicidal composition and method for controlling harmful fungi 石原产业株式会社 2021-08-27 CN disclosed