SCHEMBL5359003

SCHEMBL5359003

CCOC(=O)c1ccc(N=Nc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.67
RAB9A P51151 4/20 0.67
NPC1 O15118 3/20 0.67
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
ESR1 P03372 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
ESR2 Q92731 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ACHE P22303 1/20 0.57
TRPA1 O75762 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.56
POLB P06746 2/20 0.54
NOS3 P29474 2/20 0.54
NOS1 P29475 2/20 0.54

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
SCHEMBL3080728 0.93 MAPT (0.75) MAPTRAB9ANPC1CA12CA1
SCHEMBL3080726 0.93 MAPT (0.75) MAPTRAB9ANPC1CA12CA1
SCHEMBL11888418 0.90 RAB9A (0.67) MAPTRAB9ANPC1CA12CA1
SCHEMBL18821735 0.90 RAB9A (0.67) MAPTRAB9ANPC1CA12CA1
Terephthalic Acid SCHEMBL28214245 0.89 CA1 (0.70) MAPTRAB9ANPC1CA12CA1
Terephthalic Acid SCHEMBL28214246 0.89 CA1 (0.70) MAPTRAB9ANPC1CA12CA1
SCHEMBL27063 0.89 CA1 (0.70) MAPTRAB9ANPC1CA12CA1
SCHEMBL10817298 0.88 RAB9A (0.69) MAPTRAB9ANPC1CA12CA1
Benzene SCHEMBL28877605 0.87 CA1 (0.68) MAPTRAB9ANPC1CA12CA1
SCHEMBL8996781 0.87 CA1 (0.68) MAPTRAB9ANPC1CA12CA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186448-B2 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2007-03-06 US disclosed
US-20060275939-A1 Composition and method for temporarily fixing solids JSR CORPORATION (JP) 2006-12-07 US disclosed
EP-1522567-A1 COMPOSITION AND METHOD FOR TEMPORARILY FIXING SOLID JSR Corporation (JP) 2005-04-13 EP disclosed
US-20040185187-A1 Composition and method for temporarily fixing solid JSR CORPORATION (JP) 2004-09-23 US disclosed