SCHEMBL9364630

SCHEMBL9364630

O=C(O)c1cc(F)ccc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.57
KDM4E B2RXH2 3/20 0.51
POLB P06746 1/20 0.51
SCN9A Q15858 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GRIK1 P39086 1/20 0.48
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 2/20 0.47
USP2 O75604 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL6791603 0.87 RXFP1 (0.58) KDM4EPOLBSCN9ARXFP1GRIK1
SCHEMBL30775042 0.87 RXFP1 (0.58) KDM4EPOLBSCN9ARXFP1GRIK1
SCHEMBL11490482 0.85 MPO (0.58) MPOKDM4EPOLBSCN9AGRIK1
SCHEMBL9360774 0.84 KDM4E (0.75) KDM4EPOLBSCN9AKMT2ACYP1A2
SCHEMBL4112011 0.82 SCN8A (0.55) KDM4EPOLBLMNAL3MBTL1TTR
SCHEMBL5818265 0.82 RXFP1 (0.50) KDM4EPOLBRXFP1CYP1A2CYP2C19
SCHEMBL31028173 0.82 SCN9A (0.56) MPOKDM4EPOLBSCN9ARXFP1
SCHEMBL9360287 0.81 NPSR1 (0.70) MPOKDM4ERXFP1KMT2ACYP1A2
SCHEMBL28011416 0.80 PPARG (0.50) KDM4ERXFP1KMT2ACYP2C19NPSR1
SCHEMBL22718161 0.78 IDH2 (0.50) KDM4EPOLBSCN9AKMT2ACYP1A2

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-0467473-B1 Herbicidal compounds SHELL INT RESEARCH (NL) 1994-10-05 EP disclosed