SCHEMBL11276699

SCHEMBL11276699

OC(C(F)=C(F)F)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.51
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX5 P09917 1/20 0.44
AKR1C3 P42330 1/20 0.42
MAOB P27338 1/20 0.42
LTA4H P09960 2/20 0.40
TSHR P16473 1/20 0.40
NPY5R Q15761 1/20 0.39
CETP P11597 2/20 0.38
SRD5A2 P31213 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NR1H2 P55055 1/20 0.37
BAX Q07812 1/20 0.37

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
SCHEMBL5494789 0.79 PTGS1 (0.68) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL10831356 0.79 PTGS1 (0.68) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL10831605 0.79 PTGS1 (0.68) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11388011 0.79 PTGS1 (0.57) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL9631581 0.78 PTGS1 (0.61) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL8895993 0.78 PTGS1 (0.61) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL477413 0.77 PTGS1 (0.59) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL13886755 0.77 PTGS1 (0.59) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL10831106 0.77 PTGS1 (0.59) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL8959967 0.77 PTGS1 (0.59) PTGS1MEN1CYP2D6KMT2AALOX5

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
US-4344961-A MITICIDES BASF AKTIENGESELLSCHAFT (DE) 1982-08-17 US disclosed