SCHEMBL8675635

SCHEMBL8675635

CCOC=C(C(=O)c1ccc(Br)cc1CSC)C(=O)C1CC1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 2/20 0.31
S1PR4 O95977 1/20 0.31
MAPT P10636 1/20 0.31
S1PR1 P21453 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GRM1 Q13255 2/20 0.30

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
SCHEMBL7573601 0.83 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9114650 0.79
SCHEMBL7582102 0.77 GRM1 (0.36) TSHRGRM1
SCHEMBL8489453 0.76 HPGD (0.47) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL7583366 0.75 LMNA (0.30) LMNA
SCHEMBL8491834 0.73 KMT2A (0.39) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL8491832 0.73 KMT2A (0.39) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL8306807 0.73
SCHEMBL8306810 0.73
SCHEMBL8388430 0.73 MAPT (0.33) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5721193-A 2-oximinomethyl-1-phenyl-1,3-propanedione derivatives as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-02-24 US disclosed
EP-0713482-A1 2-OXIMINOMETHYL-1-PHENYL-1,3-PROPANEDIONE DERIVATIVES AS HERBICIDES RHONE POULENC AGRICULTURE LTD. (GB) 1996-05-29 EP disclosed
WO-1995004716-A1 2-OXIMINOMETHYL-1-PHENYL-1,3-PROPANEDIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LTD (GB) 1995-02-16 WO disclosed