SCHEMBL276157

SCHEMBL276157

CC(=O)CC(=O)Nc1ccc(CC(O)(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.53
POLB P06746 2/20 0.52
MAPT P10636 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
TSHR P16473 1/20 0.46
SRC P12931 1/20 0.42
ENPP2 Q13822 1/20 0.41
DGAT2 Q96PD7 1/20 0.41
BTN3A1 O00481 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL593172 0.77 MAPT (0.74) POLBMAPTKDM4EMEN1ALDH1A1
SCHEMBL10603962 0.76 POLB (0.67) POLBMAPTKDM4EMEN1ALDH1A1
SCHEMBL12980777 0.74 FDPS (0.68) FDPSBTN3A1PDE3AGGPS1
SCHEMBL28618160 0.74 MAPT (0.57) POLBMAPTKDM4EMEN1ALDH1A1
SCHEMBL7055067 0.74 POLB (0.70) POLBMAPTKDM4EMEN1ALDH1A1
SCHEMBL28779123 0.73 POLB (0.63) POLBMAPTKDM4EMEN1ALDH1A1
SCHEMBL8751494 0.72 CA1 (0.64) POLBMAPTKDM4EMEN1ALDH1A1
SCHEMBL11045801 0.72 FDPS (0.69) FDPSTSHRBTN3A1PDE3AGGPS1
SCHEMBL6204592 0.71 MAPT (0.67) POLBMAPTKDM4EMEN1ALDH1A1
SCHEMBL11983728 0.71 POLB (0.71) POLBMAPTKDM4EMEN1ALDH1A1

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
US-8133311-B2 Liquid vehicle, pigment, and non-polymeric dispersant containing diphosphate groups; ink jet inks CABOT CORPORATION (US) 2012-03-13 US disclosed
US-20080264298-A1 Pigment dipsersions comprising functionalized non-polymeric dispersants CABOT CORPORATION 2008-10-30 US disclosed