SCHEMBL30105124

SCHEMBL30105124

COc1cc(NCCO)cc(NC(=O)Nc2cccc(Cl)c2CO)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 8/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 5/20 0.43
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GRIK1 P39086 1/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL23831658 1.00 PTGER3 (0.48) PTGER3CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL30105038 0.93 TRPV1 (0.52) PTGER3CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL30105184 0.92 PTGER3 (0.49) PTGER3CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL23831911 0.92 PTGER3 (0.49) PTGER3CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL30105262 0.88 RAB9A (0.49) PTGER3CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL23831951 0.88 RAB9A (0.49) PTGER3CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL23832103 0.88 DHODH (0.45) MAPTHTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL30105049 0.88 DHODH (0.45) MAPTHTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL23831767 0.88 KDR (0.44) PTGER3CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL30105311 0.88 KDR (0.44) PTGER3CYP1A2CYP2C9CYP2C19MAPT

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
EP-4121415-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-01-25 EP disclosed