SCHEMBL22475413

SCHEMBL22475413

CCOC(=O)CC(O)CCCCC(O)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.44
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 4/20 0.39
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRM1 P11229 1/20 0.36
ADORA1 P30542 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FAAH O00519 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL21551847 0.98 GPR84 (0.47) GPR84MGAMGAASIMGAM2
SCHEMBL21552020 0.98 GPR84 (0.47) GPR84MGAMGAASIMGAM2
SCHEMBL21551999 0.98 GPR84 (0.47) GPR84MGAMGAASIMGAM2
SCHEMBL1242948 0.89 GPR84 (0.58) GPR84MGAMGAASIMGAM2
SCHEMBL21566570 0.88 NR1I2 (0.44) GPR84MGAMGAASIMGAM2
SCHEMBL22398259 0.87 GPR84 (0.41) GPR84MGAMGAASIMGAM2
SCHEMBL22398261 0.87 GPR84 (0.41) GPR84MGAMGAASIMGAM2
SCHEMBL22655388 0.87 GPR84 (0.61) GPR84KMT2AFFAR4FFAR1
SCHEMBL7598470 0.87 GPR84 (0.61) GPR84KMT2AFFAR4FFAR1
SCHEMBL22398239 0.87 GPR84 (0.43) GPR84MGAMGAASIMGAM2

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
EP-3715339-B1 PREPARATION METHOD OF BETA-HYDROXYCARBOXYLIC ACID ESTER SHENYANG GOLD JYOUKI TECH CO LTD (CN) 2021-09-29 EP disclosed
EP-3715339-A1 PREPARATION METHOD OF BETA-HYDROXYCARBOXYLIC ACID ESTER Shenyang Gold Jyouki Technology Co., Ltd (CN) 2020-09-30 EP disclosed