SCHEMBL9780586

SCHEMBL9780586

O=C(O)CCCOc1c(Cl)cccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
PYGL P06737 1/20 0.49
RAB9A P51151 1/20 0.46
AKR1B1 P15121 1/20 0.46
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FFAR4 Q5NUL3 6/20 0.44
FFAR1 O14842 3/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
FABP3 P05413 1/20 0.43
SNCA P37840 1/20 0.43

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
SCHEMBL9780778 0.95 KMT2A (0.62) KMT2APYGLAKR1B1HPGDL3MBTL1
SCHEMBL9780857 0.93 KMT2A (0.61) KMT2APYGLAKR1B1HPGDL3MBTL1
SCHEMBL9780958 0.91 KMT2A (0.67) KMT2APYGLAKR1B1L3MBTL1MEN1
SCHEMBL9501831 0.89 POLB (0.56) KMT2ARAB9AHPGDL3MBTL1FFAR4
SCHEMBL27634252 0.82 KMT2A (0.49) KMT2APYGL
SCHEMBL4788971 0.81 TSHR (0.55) KMT2ARAB9AL3MBTL1FFAR4MEN1
SCHEMBL3161189 0.80 MEN1 (0.58) KMT2ARAB9AHPGDL3MBTL1FFAR4
SCHEMBL3729436 0.79 KMT2A (1.00) KMT2AAKR1B1HPGD
SCHEMBL27654735 0.78 MAPT (0.45) KMT2APYGLRAB9AL3MBTL1MEN1
SCHEMBL11230817 0.77 KMT2A (0.46) KMT2ARAB9AAKR1B1L3MBTL1MEN1

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
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US disclosed