SCHEMBL28713095

SCHEMBL28713095

CCCCC(CC)(C(=O)O)C(CC)(CC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.37
PAM P19021 2/20 0.36
GPR84 Q9NQS5 7/20 0.36
PPARG P37231 6/20 0.36
PPARD Q03181 6/20 0.36
PPARA Q07869 6/20 0.36
HDAC11 Q96DB2 5/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FABP4 P15090 2/20 0.36
PTPN1 P18031 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
ALOX15 P16050 1/20 0.36
PDE4A P27815 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13269592 0.98 AKR1B1 (0.39) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL28469502 0.91 CES2 (0.44) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL13269370 0.91 AKR1B1 (0.42) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL13269538 0.88 CES2 (0.45) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL2369393 0.87 AKR1B1 (0.42) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL525645 0.86 AKR1B1 (0.34) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL28488398 0.86 AKR1B1 (0.34) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL13519426 0.86 ACE2 (0.32) AKR1B1GPR84TSHRALDH1A1SLC22A6
SCHEMBL27643520 0.86 CA2 (0.31) AKR1B1GPR84PPARGPPARDPPARA
Ammonia Solution, Strong SCHEMBL28849729 0.85 AKR1B1 (0.40) AKR1B1GPR84PPARGPPARDPPARA

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-112789296-B Polypropylene composition and molded article 巴塞尔聚烯烃意大利有限公司 2022-01-18 CN disclosed