SCHEMBL9507924

SCHEMBL9507924

C=C(C(=O)O)C(CCCO)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.33
TET2 Q6N021 3/20 0.32
TET3 O43151 1/20 0.32
TET1 Q8NFU7 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM2 Q14416 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL9509502 0.93 GPR84 (0.34) CAMK2ATET2TET3TET1GRIK1
SCHEMBL30365907 0.91 GPR84 (0.38) CAMK2ATET2TET3TET1GPR84
SCHEMBL9495454 0.86 TET2 (0.34) TET2TET3TET1GRIK1GRIK2
SCHEMBL577633 0.80 CA2 (0.48) GRIK1GRIK2GPR84CHRM1AKR1A1
SCHEMBL1704638 0.80 CAMK2A (0.43) CAMK2AGRIK1GRIK2GRM1GRM2
SCHEMBL27511000 0.78 CA2 (0.47) GRIK1GRIK2GPR84CHRM1AKR1A1
SCHEMBL28914658 0.78 CA2 (0.47) GRIK1GRIK2GPR84CHRM1AKR1A1
SCHEMBL28745708 0.78 GPR84 (0.50) GRIK1GRIK2GPR84FFAR1FFAR4
SCHEMBL632819 0.77 TET2 (0.37) CAMK2ATET2TET3TET1GPR84
SCHEMBL9227679 0.77 GPR84 (0.53) GRIK1GRIK2GPR84FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103547642-B For preserving the para-hydroxybenzoic acid esters derivatives of cellulose materials EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2015-12-02 CN disclosed
CN-103547642-A Paraben derivatives for preserving cellulosic materials EMPIRE TECHNOLOGY DEV LLC 2014-01-29 CN disclosed
EP-0349810-B1 PROCESS FOR THE PREPARATION OF ALKOXYLATED POLYMERS CONTAINING CARBONYL GROUPS BASF Aktiengesellschaft (DE) 1993-09-01 EP disclosed
EP-0285933-B1 USE OF ALKOXYLATED CARBOXYL GROUPS CONTAINING POLYMERISATES IN WASHING AGENTS BASF Aktiengesellschaft (DE) 1990-10-31 EP disclosed
EP-0349810-A2 Process for the preparation of alkoxylated polymers containing carbonyl groups BASF Aktiengesellschaft (DE) 1990-01-10 EP disclosed