SCHEMBL8302564

SCHEMBL8302564

CCCCOc1ccc(NC(=O)CN(Cc2ccccc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
LTA4H P09960 3/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
LMNA P02545 2/20 0.47
FAAH O00519 6/20 0.47
THRB P10828 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 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
SCHEMBL6717933 0.89 LTA4H (0.58) MEN1KMT2ALTA4HNPC1RAB9A
SCHEMBL7468687 0.83 ALDH1A1 (0.53) HDAC3HDAC1HDAC2NCOR2LTA4H
SCHEMBL3635901 0.79 LTA4H (0.56) MEN1KMT2ALTA4HNPC1RAB9A
SCHEMBL13726322 0.79 LMNA (0.57) MEN1KMT2ALTA4HNPC1HPGD
SCHEMBL4278729 0.77 HDAC3 (0.54) HDAC3HDAC1HDAC2NCOR2LMNA
SCHEMBL10888065 0.77 HDAC6 (0.63) HDAC3HDAC1HDAC2NPC1ADAMTS5
SCHEMBL31248371 0.75 HDAC1 (0.52) KMT2AHDAC3HDAC1HDAC2NCOR2
SCHEMBL19488520 0.75 LTA4H (0.43) HDAC3HDAC1HDAC2NCOR2LTA4H
SCHEMBL2834319 0.74 HDAC3 (0.55) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL23099650 0.74 KMT2A (0.47) MEN1KMT2AHDAC3HDAC1HDAC2

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
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed