SCHEMBL28520196

SCHEMBL28520196

C=C(CCC(=O)O)C(=O)OCCCO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 1/20 0.43
GPR84 Q9NQS5 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
TSHR P16473 3/20 0.35
LMNA P02545 3/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 1/20 0.31
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7745098 0.86 TSHR (0.38) CAMK2AGPR84FFAR1FFAR4TSHR
SCHEMBL28520195 0.85 MAPT (0.39) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18007133 0.83 TSHR (0.50) GPR84FFAR1FFAR4TSHRSLC22A6
SCHEMBL2807013 0.82 ALOX15 (0.36) CAMK2AGPR84FFAR1FFAR4TSHR
SCHEMBL27462340 0.82 TSHR (0.38) CAMK2AGPR84FFAR1FFAR4TSHR
SCHEMBL31390457 0.81 TSHR (0.47) TSHRALDH1A1
SCHEMBL2026788 0.81 TSHR (0.35) TSHR
SCHEMBL3980001 0.81 TSHR (0.35) TSHR
SCHEMBL11763636 0.81 TSHR (0.35) TSHR
Methacrylic Acid SCHEMBL21819997 0.80 TSHR (0.43) CAMK2ATSHRALDH1A1POLBAPEX1

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
CN-112385076-A Separator for electrochemical device and method of manufacturing the same 株式会社LG化学 2021-02-19 CN disclosed