SCHEMBL5407249

SCHEMBL5407249

CC(CC/C=C/CCC(C)C(=O)O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.54
CYP1A2 P05177 1/20 0.54
BLM P54132 1/20 0.46
ACE2 Q9BYF1 1/20 0.43
LTA4H P09960 1/20 0.42
CNR1 P21554 4/20 0.38
ARG2 P78540 1/20 0.38

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
SCHEMBL5407252 1.00 GABRR1 (0.54) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL5774607 0.91 GABRR1 (0.46) GABRR1CYP1A2BLMACE2
SCHEMBL5586095 0.91 GABRR1 (0.46) GABRR1CYP1A2BLMACE2
SCHEMBL10037910 0.91 ACE2 (0.47) GABRR1CYP1A2BLMACE2CNR1
SCHEMBL8611204 0.91 GABRR1 (0.46) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL8665181 0.91 ACE2 (0.47) GABRR1CYP1A2BLMACE2CNR1
SCHEMBL8611210 0.91 GABRR1 (0.46) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL8665179 0.91 ACE2 (0.47) GABRR1CYP1A2BLMACE2CNR1
SCHEMBL5586091 0.91 GABRR1 (0.46) GABRR1CYP1A2BLMACE2
SCHEMBL11514977 0.89 GABRR1 (0.45) GABRR1CYP1A2BLMACE2LTA4H

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-7157062-B2 Inhibition of the depletion of metal values from pregnant lixiviant solutions GE BETZ, INC. (US) 2007-01-02 US disclosed
US-20030228245-A1 Inhibition of the depletion of metal values from pregnant lixiviant solutions GE BETZ, INC. (US) 2003-12-11 US disclosed