SCHEMBL28660487

SCHEMBL28660487

CCCCCCCCCCCCCCCCCCc1cc(COC(C)=O)cc(CCCCCCCCCCCCCCCCCC)c1CCCCCCCCCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.44
PTGS2 P35354 6/20 0.41
ALDH1A1 P00352 2/20 0.41
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
TYR P14679 1/20 0.41
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NOD2 Q9HC29 1/20 0.40
PTPN1 P18031 1/20 0.38
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL8367993 0.81 ALDH1A1 (0.43) ALOX5PTGS2ALDH1A1CYP3A4TYR
Phosphine SCHEMBL8857023 0.80 ALOX5 (0.45) ALOX5ALDH1A1PPARGPPARACYP3A4
Ammonia Solution, Strong SCHEMBL8857142 0.80 ALOX5 (0.45) ALOX5ALDH1A1PPARGPPARACYP3A4
SCHEMBL13783933 0.78 ALDH1A1 (0.59) PTGS2ALDH1A1CYP3A4MEN1TP53
SCHEMBL13783906 0.76 ALDH1A1 (0.56) PTGS2ALDH1A1CYP3A4MEN1TP53
SCHEMBL17581912 0.75 PTGS2 (0.46) ALOX5PTGS2ALDH1A1CYP3A4TSHR
SCHEMBL17027813 0.75 PPARA (0.52) ALDH1A1PPARGPPARA
SCHEMBL1186041 0.75 PTGS2 (0.44) ALOX5PTGS2ALDH1A1CYP3A4TSHR
SCHEMBL1186692 0.75 PTGS2 (0.44) ALOX5PTGS2ALDH1A1CYP3A4TSHR
SCHEMBL1186805 0.75 PTGS2 (0.44) ALOX5PTGS2ALDH1A1CYP3A4TSHR

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
CN-113717239-A Precipitation accelerator and precipitation method using the same 味之素株式会社 2021-11-30 CN disclosed
CN-107207555-B Precipitation accelerator and precipitation method using the same 味之素株式会社 2021-10-22 CN disclosed