SCHEMBL7425846

SCHEMBL7425846

O=C(CCCCc1ccccc1OCc1ccccc1)NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
GAA P10253 1/20 0.57
PTGER1 P34995 1/20 0.56
PTGER4 P35408 1/20 0.56
PTGER3 P43115 1/20 0.56
PTGER2 P43116 1/20 0.56
HPGD P15428 1/20 0.55
TRPV1 Q8NER1 3/20 0.54
SGMS2 Q8NHU3 1/20 0.54
EPHX2 P34913 1/20 0.53
LMNA P02545 1/20 0.53
MGLL Q99685 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL17197391 0.80 HTR1A (0.79) MEN1KMT2AGAAPTGER1PTGER4
SCHEMBL9080237 0.79 MEN1 (0.83) MEN1KMT2AGAATRPV1EPHX2
SCHEMBL2942358 0.78 MEN1 (0.96) MEN1KMT2AGAATRPV1EPHX2
Iodide SCHEMBL7715449 0.78 L3MBTL1 (0.58) MEN1KMT2AGAAHPGDSGMS2
SCHEMBL10758591 0.77 PTGER1 (0.60) MEN1KMT2AGAAPTGER1PTGER4
SCHEMBL7990040 0.77 PTGER1 (0.60) GAAPTGER1PTGER4PTGER3PTGER2
SCHEMBL7763386 0.77 MEN1 (0.86) MEN1KMT2AGAATRPV1EPHX2
SCHEMBL8675521 0.77 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2SGMS2
SCHEMBL2038509 0.76 PTGER1 (0.67) PTGER1PTGER4PTGER3PTGER2MGLL
SCHEMBL10683333 0.76 HTR1A (0.67) MEN1KMT2AGAAPTGER1PTGER4

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
EP-0773926-A1 DIFLUOROSTATONE ANTIVIRAL AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-05-21 EP disclosed
WO-1996002499-A1 DIFLUOROSTATONE ANTIVIRAL AGENTS MERRELL PHARMACEUTICALS INC. (US) 1996-02-01 WO disclosed