SCHEMBL8488598

SCHEMBL8488598

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.50
TERT O14746 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
KMT2A Q03164 1/20 0.41
ELANE P08246 2/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
KCNA3 P22001 1/20 0.38

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
SCHEMBL8487220 1.00 ALOX5 (0.50) ALOX5TERTTAS1R3TAS1R1KMT2A
SCHEMBL17833173 0.86 CNR1 (0.46) ALOX5TERTTAS1R3TAS1R1KMT2A
SCHEMBL8485278 0.84 ALOX5 (0.59) ALOX5TERTTAS1R3TAS1R1KMT2A
SCHEMBL8487702 0.84 ALOX5 (0.54) ALOX5TERTELANELMNAKDM4E
SCHEMBL8488000 0.84 ALOX5 (0.54) ALOX5TERTELANELMNAKDM4E
SCHEMBL8488779 0.83 CA12 (0.48) ALOX5TERTTAS1R3TAS1R1KMT2A
SCHEMBL8489068 0.83 CA12 (0.48) ALOX5TERTTAS1R3TAS1R1KMT2A
SCHEMBL8484730 0.83 ALOX5 (0.63) ALOX5TAS1R3TAS1R1KMT2AALDH1A1
SCHEMBL8485248 0.83 ALOX5 (0.63) ALOX5TAS1R3TAS1R1KMT2AALDH1A1
SCHEMBL8488358 0.83 ALOX5 (0.53) ALOX5TERTLMNAKDM4EALDH1A1

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