SCHEMBL9148463

SCHEMBL9148463

COC=C(C(=O)OC)c1ccccc1Oc1cccc(C(O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CTNNB1 P35222 1/20 0.37
CYP2D6 P10635 1/20 0.37
NPY5R Q15761 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL29359432 1.00 PTGS1 (0.40) PTGS1CASP1RAB9AKDM4EPOLB
SCHEMBL204207 1.00 PTGS1 (0.40) PTGS1CASP1RAB9AKDM4EPOLB
SCHEMBL2851748 0.91 PTGS1 (0.41) PTGS1CASP1RAB9AKDM4EPOLB
SCHEMBL17927792 0.91 PTGS1 (0.41) PTGS1CASP1RAB9AKDM4EPOLB
SCHEMBL2851743 0.91 PTGS1 (0.41) PTGS1CASP1RAB9AKDM4EPOLB
SCHEMBL31289592 0.91 PTGS1 (0.41) PTGS1CASP1RAB9AKDM4EPOLB
SCHEMBL9152606 0.88 KDM4E (0.39) PTGS1CASP1RAB9AKDM4EPOLB
SCHEMBL9152595 0.88 KDM4E (0.39) PTGS1CASP1RAB9AKDM4EPOLB
SCHEMBL9152601 0.88 KDM4E (0.39) PTGS1CASP1RAB9AKDM4EPOLB
SCHEMBL9150477 0.86 RAB9A (0.46) RAB9AKDM4EPOLBMEN1KMT2A

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-5468857-A Phenylmethoxypropenoic esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-11-21 US disclosed
US-5334748-A A methyl 2-aryl heterofunctional phenoxyphenyl-3-methoxy-propenoate compound; treating the plant diseases IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-02 US disclosed
EP-0307103-A2 Fungicides ZENECA LIMITED (GB) 1989-03-15 EP disclosed