SCHEMBL28554251

SCHEMBL28554251

CCCOC(=O)CCC.OCCCCCCCCCCCCCO

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.55
DNM1 Q05193 1/20 0.46
NAAA Q02083 1/20 0.45
ACHE P22303 6/20 0.44
ALDH1A1 P00352 2/20 0.44
HTR2C P28335 1/20 0.44
MGLL Q99685 1/20 0.44
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
PAM P19021 2/20 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
SCHEMBL29288164 0.92 DGKA (0.67) DGKADNM1NAAAALDH1A1MGLL
SCHEMBL439238 0.92 DGKA (0.67) DGKADNM1NAAAALDH1A1MGLL
SCHEMBL3504029 0.92 DGKA (0.67) DGKADNM1NAAAALDH1A1MGLL
SCHEMBL7356056 0.92 DGKA (0.67) DGKADNM1NAAAALDH1A1MGLL
SCHEMBL28494279 0.92 NAAA (0.55) DGKADNM1NAAAACHEALDH1A1
SCHEMBL2525587 0.92 NAAA (0.55) DGKADNM1NAAAACHEALDH1A1
SCHEMBL7267842 0.92 NAAA (0.55) DGKADNM1NAAAACHEALDH1A1
SCHEMBL2526191 0.92 NAAA (0.55) DGKADNM1NAAAACHEALDH1A1
SCHEMBL1683708 0.92 DGKA (0.67) DGKADNM1NAAAALDH1A1MGLL
SCHEMBL28543299 0.92 NAAA (0.55) DGKADNM1NAAAACHEALDH1A1

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-108409560-B 1, 13-tridecanediol ester and preparation method of 1, 13-tridecanediol thereof 合肥利夫生物科技有限公司 2021-04-06 CN disclosed