SCHEMBL29022787

SCHEMBL29022787

C=C(OC(=O)CCCCCCCCCCCCCCCCC)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.52
FAAH O00519 2/20 0.49
TSHR P16473 3/20 0.49
PAM P19021 2/20 0.47
MAPT P10636 2/20 0.45
LMNA P02545 4/20 0.44
DNM1 Q05193 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NAAA Q02083 1/20 0.43
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL5402580 1.00 DGKA (0.52) DGKAFAAHTSHRPAMMAPT
SCHEMBL7237346 0.88 CYP4F2 (0.40) DGKAFAAHTSHRPAMLMNA
SCHEMBL11348245 0.80 DGKA (0.67) DGKAFAAHTSHRPAMMAPT
SCHEMBL6247179 0.79 ALDH1A1 (0.47) TSHRMAPTLMNAALDH1A1NAAA
SCHEMBL3327698 0.78 DGKA (0.59) DGKATSHRPAMMAPTLMNA
SCHEMBL27396784 0.78 DGKA (0.59) DGKATSHRPAMMAPTLMNA
SCHEMBL375152 0.78 FAAH (0.54) DGKAFAAHTSHRALDH1A1MEN1
SCHEMBL5529002 0.78 FAAH (0.54) DGKAFAAHTSHRALDH1A1MEN1
SCHEMBL375248 0.78 FAAH (0.54) DGKAFAAHTSHRALDH1A1MEN1
SCHEMBL375396 0.78 FAAH (0.54) DGKAFAAHTSHRALDH1A1MEN1

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-115105476-A Orlistat freeze-dried oral preparation and preparation process thereof 山东新时代药业有限公司 2022-09-27 CN claimed