SCHEMBL7137147

SCHEMBL7137147

CCCN(C1=C(O)CC(CCc2ccc(O)cc2)(c2ccc(OCCN3CCNCC3)cc2)OC1=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
ESRRG P62508 2/20 0.39
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
ESR1 P03372 3/20 0.35
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
P4HB P07237 1/20 0.34
ESR2 Q92731 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34

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
SCHEMBL7074205 0.83 UTS2R (0.36) MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL7078827 0.79 DRD2 (0.34) MAPTKMT2AMEN1SMN1; SMN2ESR1
SCHEMBL7074566 0.79 LDHA (0.35)
SCHEMBL7077614 0.77 UTS2R (0.35) MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL7079182 0.76 PPIB (0.34) ITGB3
SCHEMBL7143558 0.75 MTNR1A (0.37)
SCHEMBL7075204 0.73 UTS2R (0.35) MAPTALDH1A1KMT2AMEN1HRH3
SCHEMBL7077562 0.73 OPRM1 (0.34) KMT2AMEN1SMN1; SMN2
SCHEMBL7074622 0.73 UTS2R (0.33)
SCHEMBL7073589 0.73 PTPN1 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E

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
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 US claimed