SCHEMBL30105038

SCHEMBL30105038

COc1cc(NCCO)cc(NC(=O)Nc2cccc(Cl)c2CCO)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.52
PTGER3 P43115 7/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 4/20 0.43
HTT P42858 3/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.42
KDR P35968 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GRIK1 P39086 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL23831969 0.93 TRPV1 (0.49) TRPV1PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL30105158 0.93 TRPV1 (0.49) TRPV1PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL30105124 0.93 PTGER3 (0.48) TRPV1PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL23831658 0.93 PTGER3 (0.48) TRPV1PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL30104912 0.89 TRPV1 (0.51) TRPV1PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL23831810 0.89 TRPV1 (0.51) TRPV1PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL23831943 0.88 TRPV1 (0.53) TRPV1PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL30104965 0.88 TRPV1 (0.53) TRPV1PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL23832072 0.88 TRPV1 (0.52) TRPV1PTGER3CYP1A2CYP2C9CYP2C19
SCHEMBL30104950 0.88 TRPV1 (0.52) TRPV1PTGER3CYP1A2CYP2C9CYP2C19

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-4121415-B1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIV PALACKEHO (CZ) 2024-02-07 EP disclosed
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