SCHEMBL21585872

SCHEMBL21585872

CCCCCCCCC(O)CCCCCCCCC(=O)OCCC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 2/20 0.67
ALDH1A1 P00352 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
FFAR4 Q5NUL3 1/20 0.61
FFAR1 O14842 1/20 0.61
LMNA P02545 2/20 0.58
KDM4E B2RXH2 1/20 0.58
DUSP3 P51452 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 1/20 0.57
DNM1 Q05193 1/20 0.56
GPR84 Q9NQS5 1/20 0.53
PAM P19021 2/20 0.51
LPAR6 P43657 1/20 0.51
LPAR1 Q92633 1/20 0.51
LPAR4 Q99677 1/20 0.51
LPAR5 Q9H1C0 1/20 0.51
LPAR2 Q9HBW0 1/20 0.51
LPAR3 Q9UBY5 1/20 0.51

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
SCHEMBL1683831 1.00 DGKA (0.67) DGKAALDH1A1L3MBTL1FFAR4FFAR1
SCHEMBL16340818 0.95 DGKA (0.58) DGKAALDH1A1L3MBTL1FFAR4FFAR1
SCHEMBL750550 0.95 DGKA (0.75) DGKAALDH1A1L3MBTL1FFAR4FFAR1
SCHEMBL1683778 0.93 DGKA (0.67) DGKAALDH1A1L3MBTL1FFAR4FFAR1
SCHEMBL21585874 0.93 DGKA (0.67) DGKAALDH1A1L3MBTL1FFAR4FFAR1
SCHEMBL24034411 0.93 DGKA (0.67) DGKAALDH1A1L3MBTL1FFAR4FFAR1
SCHEMBL3487884 0.93 DGKA (0.67) DGKAALDH1A1L3MBTL1FFAR4FFAR1
SCHEMBL3487129 0.93 DGKA (0.67) DGKAALDH1A1L3MBTL1FFAR4FFAR1
SCHEMBL3487063 0.93 DGKA (0.67) DGKAALDH1A1L3MBTL1FFAR4FFAR1
SCHEMBL24034514 0.93 DGKA (0.67) DGKAALDH1A1L3MBTL1FFAR4FFAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210222144-A1 SELECTIVE HYDRATION OF OLEIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2021-07-22 US disclosed
EP-3802760-A1 SELECTIVE HYDRATION OF OLEIC ACID DERIVATIVES DSM IP Assets B.V. (NL) 2021-04-14 EP disclosed
CN-112236507-A Selective hydration of oleic acid derivatives 帝斯曼知识产权资产管理有限公司 2021-01-15 CN disclosed
WO-2019234043-A1 SELECTIVE HYDRATION OF OLEIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2019-12-12 WO disclosed