SCHEMBL28136609

SCHEMBL28136609

CCCCC(Cl)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.38
CA2 P00918 7/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 4/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
FDPS P14324 1/20 0.32
LMNA P02545 1/20 0.32
OPRM1 P35372 1/20 0.31

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
SCHEMBL29321983 0.90 LMNA (0.41) DNM1CA2ALDH1A1TSHRFDPS
SCHEMBL7795346 0.82
SCHEMBL8310868 0.81 DNM1 (0.36) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL14935985 0.79 CA2 (0.37) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL28713915 0.79 TSHR (0.35) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL8830226 0.79 DNM1 (0.35) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL8465036 0.78 DNM1 (0.38) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL7872175 0.77 DNM1 (0.33) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL16969615 0.76 FDPS (0.38) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL6450347 0.76 DNM1 (0.36) DNM1CA2MAPK1CA1ALDH1A1

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-109096324-B Synthesis method and application of dialkyl acyl germanium chloride 杭州师范大学 2020-10-13 CN claimed
CN-109096324-A A kind of dialkyl group acyl group germanium chloride synthetic method and application 杭州师范大学 2018-12-28 CN claimed
CN-110407964-A Catalyst component for olefin and preparation method thereof CHINA PETROLEUM & CHEM CORP 2019-11-05 CN disclosed
CN-107501112-B A kind of Chiral Synthesis of chiral beta-amino acids and the synthetic method of medicine intermediate 苏州爱玛特生物科技有限公司 2019-06-11 CN disclosed
CN-109096324-A A kind of dialkyl group acyl group germanium chloride synthetic method and application 杭州师范大学 2018-12-28 CN disclosed
CN-106518852-A 2-methyl-2-(5-fluorouracil)carbonyltrimethylene carbonate as well as preparation method and application thereof 中国地质大学(武汉) 2017-03-22 CN disclosed