SCHEMBL11514977

SCHEMBL11514977

CC(CC/C=C/CCl)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.45
CYP1A2 P05177 1/20 0.45
BLM P54132 1/20 0.39
ACE2 Q9BYF1 1/20 0.37
LTA4H P09960 1/20 0.36
CNR1 P21554 5/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11514981 1.00 GABRR1 (0.45) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL5407249 0.89 GABRR1 (0.54) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL5407252 0.89 GABRR1 (0.54) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL5586095 0.81 GABRR1 (0.46) GABRR1CYP1A2BLMACE2TDP1
SCHEMBL8611204 0.81 GABRR1 (0.46) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL8611210 0.81 GABRR1 (0.46) GABRR1CYP1A2BLMACE2LTA4H
SCHEMBL8665181 0.81 ACE2 (0.47) GABRR1CYP1A2BLMACE2CNR1
SCHEMBL5586091 0.81 GABRR1 (0.46) GABRR1CYP1A2BLMACE2TDP1
SCHEMBL8665179 0.81 ACE2 (0.47) GABRR1CYP1A2BLMACE2CNR1
SCHEMBL5774607 0.81 GABRR1 (0.46) GABRR1CYP1A2BLMACE2TDP1

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
US-4169199-A Precursors for prostaglandin analogue and process for preparing the same SAGAMI CHEMICAL RESEARCH CENTER (JP) 1979-09-25 US disclosed