SCHEMBL8485248

SCHEMBL8485248

COC(=O)[C@@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.63
NAAA Q02083 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HDAC7 Q8WUI4 1/20 0.45
KMT2A Q03164 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NLRP1 Q9C000 1/20 0.41
HCRTR1 O43613 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41

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
SCHEMBL8484730 1.00 ALOX5 (0.63) ALOX5NAAACA1CA2HDAC7
SCHEMBL8485278 0.96 ALOX5 (0.59) ALOX5NAAACA1CA2HDAC7
SCHEMBL8487740 0.86 ALOX5 (0.67) ALOX5NAAAHDAC7HPGDTSHR
SCHEMBL3441243 0.86 ALOX5 (0.67) ALOX5NAAAHDAC7HPGDTSHR
SCHEMBL8488429 0.85 ALOX5 (0.46) ALOX5CA1CA2KMT2AALDH1A1
SCHEMBL8487544 0.85 ALOX5 (0.70) ALOX5NAAAHDAC7HPGDTSHR
SCHEMBL8488397 0.84 KMT2A (0.46) ALOX5CA1CA2KMT2AALDH1A1
SCHEMBL8488598 0.83 ALOX5 (0.50) ALOX5KMT2AHPGDTSHRALDH1A1
SCHEMBL8487220 0.83 ALOX5 (0.50) ALOX5KMT2AHPGDTSHRALDH1A1
SCHEMBL7668122 0.82 ALOX5 (0.64) ALOX5NAAAHDAC7HPGDTSHR

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
WO-1999042435-A2 MYXOCHELINES ANALYTICON AG BIOTECHNOLOGIE PHARMAZIE (DE) 1999-08-26 WO claimed
WO-1999042435-A2 MYXOCHELINES ANALYTICON AG BIOTECHNOLOGIE PHARMAZIE (DE) 1999-08-26 WO disclosed