SCHEMBL904646

SCHEMBL904646

CC(CN)C(=O)O.CC(N)(N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.50
CYP1A2 P05177 1/20 0.39
ENPEP Q07075 2/20 0.39
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC7A5 Q01650 1/20 0.34
CACNA2D1 P54289 2/20 0.34
FOLH1 Q04609 2/20 0.34
NAALAD2 Q9Y3Q0 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 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
SCHEMBL2037660 0.91 GABRR1 (0.50) GABRR1CYP1A2ENPEPLTA4HALDH1A1
SCHEMBL565484 0.84
SCHEMBL2191 0.84
SCHEMBL456709 0.84
SCHEMBL21114361 0.84 GABRR1 (0.65) GABRR1CYP1A2ENPEPLTA4HSLC7A5
Water SCHEMBL1565541 0.82
Hydrochloric Acid SCHEMBL27603637 0.82
Hydrochloric Acid SCHEMBL2582220 0.82
Hydrochloric Acid SCHEMBL27599300 0.82
Hydrochloric Acid SCHEMBL463250 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011163237-A2 CLEARCOAT CONTAINING THERMOASE C160® FOR EASY-CLEANING OF INSECT BODY STAINS TOYOTA MOTOR ENGINEERING & MANUFACTURING NORTH AMERICA, INC. (US) 2011-12-29 WO disclosed
WO-2011163257-A2 LIPASE-CONTAINING POLYMERIC COATINGS FOR THE FACILITATED REMOVAL OF FINGERPRINTS TOYOTA MOTOR ENGINEERING & MANUFACTURING NORTH AMERICA, INC. (US) 2011-12-29 WO disclosed
WO-2011100408-A2 SEROLOGIC CORRELATES OF PROTECTION AGAINST BACILLIS ANTHRACIS INFECTION THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES, CENTERS FOR DISEASE CONTROL AND PREVENTION (US) 2011-08-18 WO disclosed