SCHEMBL9532555

SCHEMBL9532555

[CH2]CCCC(=O)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
EPHX1 P07099 2/20 0.41
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
ALOX5 P09917 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL4439073 0.85 HPGD (0.41) HPGDEPHX1KMT2AEPHX2LMNA
SCHEMBL791953 0.80 EPHX1 (0.41) HPGDEPHX1KMT2AEPHX2LMNA
SCHEMBL787945 0.80 CYP1A2 (0.48) HPGDEPHX1KMT2AEPHX2
SCHEMBL4642050 0.80 HPGD (0.37) HPGDEPHX1KMT2AEPHX2LMNA
SCHEMBL1148328 0.78 EPHX1 (0.54) HPGDEPHX1KMT2AEPHX2ALOX5
SCHEMBL7945281 0.78 EPHX1 (0.54) HPGDEPHX1KMT2AEPHX2ALOX5
SCHEMBL13485707 0.78 CYP1A2 (0.45) HPGDEPHX1KMT2A
SCHEMBL19508699 0.77 NAAA (0.53) EPHX1KMT2AEPHX2
SCHEMBL2990381 0.77 NAAA (0.53) EPHX1KMT2AEPHX2
SCHEMBL11625205 0.77 NAAA (0.53) EPHX1KMT2AEPHX2

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-0555331-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1993-08-18 EP claimed