SCHEMBL4222033

SCHEMBL4222033

CCCCCCCCCCCC(=O)OCc1ccc(C)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.53
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.49
PAM P19021 2/20 0.49
KMT2A Q03164 1/20 0.47
ELANE P08246 2/20 0.47
TSHR P16473 1/20 0.46
DNM1 Q05193 1/20 0.45

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
SCHEMBL3158943 1.00 DGKA (0.53) DGKAALDH1A1MAPTGAALMNA
SCHEMBL4222015 1.00 DGKA (0.53) DGKAALDH1A1MAPTGAALMNA
SCHEMBL4212735 1.00 DGKA (0.53) DGKAALDH1A1MAPTGAALMNA
SCHEMBL4213449 1.00 DGKA (0.53) DGKAALDH1A1MAPTGAALMNA
SCHEMBL4214264 1.00 DGKA (0.53) DGKAALDH1A1MAPTGAALMNA
SCHEMBL15987607 1.00 DGKA (0.53) DGKAALDH1A1MAPTGAALMNA
SCHEMBL5709846 0.98 ALDH1A1 (0.51) DGKAALDH1A1MAPTGAALMNA
SCHEMBL28420977 0.93 ALDH1A1 (0.52) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL18381162 0.93 ALDH1A1 (0.55) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL3814877 0.93 DGKA (0.60) DGKAALDH1A1MAPTLMNAPAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107955822-A A kind of lipase-catalyzed online synthesis S-(4- methyl-benzyls)The method of laurate thioesters 浙江工业大学 2018-04-24 CN disclosed
CN-107955822-A A kind of lipase-catalyzed online synthesis S-(4- methyl-benzyls)The method of laurate thioesters 浙江工业大学 2018-04-24 CN disclosed
US-7494537-B2 Thermochromic coloring color-memory composition and thermochromic coloring color-memory microcapsule pigment containing the same THE PILOT INK CO., LTD. (JP) 2009-02-24 US disclosed
EP-1657073-B1 Reversible thermochromic composition and microcapsules containing the same PILOT INK CO LTD (JP) 2008-02-27 EP disclosed
US-20060112851-A1 Thermochromic coloring color-memory composition and thermochromic coloring color-memory microcapsule pigment containing the same THE PILOT INK CO., LTD. 2006-06-01 US disclosed
EP-1657073-A2 Reversible thermochromic composition and microcapsules containing the same THE PILOT INK CO., LTD. (JP) 2006-05-17 EP disclosed