SCHEMBL8760487

SCHEMBL8760487

C=CCNC(=O)c1c(OC(C)(CC)CC)ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
CXCR5 P32302 1/20 0.41
HPGD P15428 5/20 0.41
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 3/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 3/20 0.38
RECQL P46063 1/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NCEH1 Q6PIU2 1/20 0.38

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
SCHEMBL8761558 0.91 ALDH1A1 (0.44) ALDH1A1CXCR5HPGDKMT2AKDM4E
SCHEMBL8761609 0.90 ALDH1A1 (0.45) ALDH1A1CXCR5HPGDKMT2AKDM4E
SCHEMBL8761896 0.85 MEN1 (0.44) ALDH1A1CXCR5KMT2AKDM4EMEN1
SCHEMBL8735082 0.79 HPGD (0.49) ALDH1A1HPGDPKMTP53LMNA
SCHEMBL8732638 0.79 HPGD (0.63) ALDH1A1HPGDKDM4EPKMLMNA
SCHEMBL8735087 0.78 HPGD (0.45) ALDH1A1HPGDPKMTP53L3MBTL1
SCHEMBL8761377 0.78 ALDH1A1 (0.41) ALDH1A1CXCR5KMT2AKDM4EMEN1
SCHEMBL8331655 0.77 SMN1; SMN2 (0.44) ALDH1A1CXCR5KMT2AKDM4ETP53
SCHEMBL8761643 0.76 ALDH1A1 (0.42) ALDH1A1CXCR5HPGDKMT2AKDM4E
SCHEMBL8761859 0.75 ALDH1A1 (0.42) ALDH1A1CXCR5HPGDKMT2AKDM4E

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-0619297-B1 Fungicides for the control of take-all desease of plants MONSANTO CO (US) 1997-06-18 EP disclosed
EP-0619297-A1 Fungicides for the control of take-all desease of plants MONSANTO COMPANY (US) 1994-10-12 EP disclosed