SCHEMBL16631033

SCHEMBL16631033

C/C=C(/Nc1cc(C(=O)N2CCC(C3CCN(c4nc(CC)c(C(=O)NCCOCCOCCN)s4)CC3)CC2)ccc1C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.40
POLB P06746 4/20 0.37
MAPT P10636 6/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PIN1 Q13526 2/20 0.33
MGLL Q99685 1/20 0.33
THRB P10828 1/20 0.32
FASN P49327 3/20 0.32
NAMPT P43490 1/20 0.32
MBTD1 Q05BQ5 1/20 0.32
TP53BP1 Q12888 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32

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
SCHEMBL16619698 0.81 ALB (0.54) ALBPOLBMAPTMGLL
SCHEMBL16619924 0.78 ALB (0.61) ALBALDH1A1HPGDKDM4ELMNA
SCHEMBL16619938 0.68 ALB (0.58) ALBPOLBMAPTALDH1A1HPGD
SCHEMBL16619766 0.65 ALB (0.67) ALBPOLBMAPTALDH1A1HPGD
SCHEMBL16630761 0.60 ALB (0.86) ALBLMNAMGLL
SCHEMBL16619189 0.58 SMN1; SMN2 (0.57) ALBMAPTLMNASMN1; SMN2
SCHEMBL10064731 0.58 SMN1; SMN2 (0.84) POLBALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL28984149 0.58 SMN1; SMN2 (0.84) POLBALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL4735653 0.58 HSD11B1 (0.60) POLBMAPTTP53ALDH1A1HPGD
SCHEMBL4196551 0.57 FASN (0.65) FASN

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
WO-2015049651-A1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY AND FOR EXTENDING THE HALF-LIFE OF A THERAPEUTIC AGENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-04-09 WO disclosed