SCHEMBL9367294

SCHEMBL9367294

CCOC(=O)CNC(=O)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
ALOX5 P09917 3/20 0.56
LTA4H P09960 4/20 0.55
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
NR1H4 Q96RI1 1/20 0.54
PPID Q08752 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CHRM4 P08173 1/20 0.52
LTB4R Q15722 1/20 0.51
LTB4R2 Q9NPC1 1/20 0.51

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
SCHEMBL30385493 0.88 PPID (0.66) KMT2AALDH1A1PPIDNPC1
SCHEMBL8019506 0.85 PPID (0.62) KMT2AALDH1A1PPIDNPC1
SCHEMBL1203178 0.85 ALOX5 (0.67) ALOX5ALDH1A1LMNANR1H4L3MBTL1
SCHEMBL1222607 0.84 RAB9A (0.65) KMT2AALDH1A1LMNANR1H4PPID
SCHEMBL548 0.82 LTA4H (0.64) LTA4HALDH1A1LMNANR1H4PPID
SCHEMBL1222683 0.81 HDAC4 (0.55) KMT2AALDH1A1LMNAPPIDHPGD
SCHEMBL5955117 0.81 ALDH1A1 (0.64) KMT2ALTA4HALDH1A1LMNANR1H4
SCHEMBL20500011 0.80 CHRM4 (0.60) ALOX5LTA4HNPC1HPGDCHRM4
SCHEMBL8389369 0.80 NPC1 (0.71) KMT2AALOX5ALDH1A1LMNAL3MBTL1
SCHEMBL26727982 0.80 GSK3B (0.63) KMT2AALDH1A1NR1H4PPIDNPC1

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-0409163-B1 Novel cyclic vinylogous N-hydroxy-N-methylureas useful as 5-lipoxygenase inhibitors MERRELL DOW PHARMA (US) 1994-12-21 EP disclosed