SCHEMBL1667519

SCHEMBL1667519

O=C(c1ccccc1N1CCC(O)CC1)C(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KCNA3 P22001 1/20 0.41
NPC1 O15118 1/20 0.40
KCNQ2 O43526 3/20 0.40
MAPK1 P28482 1/20 0.39
NOTUM Q6P988 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
CSF1R P07333 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN1 P18031 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL15533384 0.81 ALDH1A1 (0.48) NPC1NOTUMPTPN1TDP1
SCHEMBL9178263 0.77 ALDH1A1 (0.50) LMNANPC1SMN1; SMN2MAPTHTT
SCHEMBL3084334 0.76 NPC1 (0.68) NPC1NOTUMSMN1; SMN2MAPTHTT
SCHEMBL9175899 0.74 KCNA3 (0.45) KCNA3KCNQ2NOTUMMAPTCSF1R
SCHEMBL4313452 0.73 HPGD (0.45) LMNANPC1MAPK1SMN1; SMN2MAPT
SCHEMBL11220957 0.72 LMNA (0.37) LMNACES2CES1KCNQ2MAPK1
SCHEMBL10428607 0.71 LMNA (0.61) LMNACES2CES1MAPK1SMN1; SMN2
SCHEMBL1078400 0.71 TLR9 (0.58) LMNACES2CES1MAPK1HTT
SCHEMBL5051768 0.70 LMNA (0.50) LMNACES2CES1MAPK1SMN1; SMN2
SCHEMBL29627850 0.70 NOTUM (0.50) LMNANOTUMMAPTPTPN1TDP1

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
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed