SCHEMBL19680353

SCHEMBL19680353

CCC(C)C(=O)OCCCCCCC(=O)OCCCCCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.49
ALDH1A1 P00352 3/20 0.46
PAM P19021 2/20 0.45
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
MAPT P10636 1/20 0.42
DNM1 Q05193 1/20 0.41
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41

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
SCHEMBL12629266 1.00 DGKA (0.49) DGKAALDH1A1PAMPRSS1PRSS2
SCHEMBL10185450 1.00 DGKA (0.49) DGKAALDH1A1PAMPRSS1PRSS2
SCHEMBL12629255 1.00 DGKA (0.49) DGKAALDH1A1PAMPRSS1PRSS2
SCHEMBL12629246 1.00 DGKA (0.49) DGKAALDH1A1PAMPRSS1PRSS2
SCHEMBL19680351 0.93 ALDH1A1 (0.52) ALDH1A1GPR84PPARGPPARDPPARA
SCHEMBL10049497 0.93 ALDH1A1 (0.52) ALDH1A1GPR84PPARGPPARDPPARA
SCHEMBL12932716 0.92 ALDH1A1 (0.48) ALDH1A1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL9957159 0.89 GPR84 (0.57) ALDH1A1MAPTGPR84PPARGPPARD
SCHEMBL11918980 0.87 HTR2C (0.39) DGKAPAMMAPT
SCHEMBL13645125 0.86 AKR1B1 (0.41) ALDH1A1GPR84PPARGPPARDPPARA

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
US-20170349774-A1 INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2017-12-07 US disclosed