SCHEMBL28633343

SCHEMBL28633343

CCCC/C=C\C=C\CCCCC(OCC)OC(CCCC/C=C/C=C\CCCC)OCC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
PPARG P37231 2/20 0.38
GPR132 Q9UNW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FASN P49327 1/20 0.36
SMPD1 P17405 3/20 0.33

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
SCHEMBL24141752 0.91 PPARG (0.42) ALDH1A1TSHRPPARGGPR132MEN1
SCHEMBL30587687 0.91 PPARG (0.42) ALDH1A1TSHRPPARGGPR132MEN1
SCHEMBL6889318 0.91 PPARG (0.42) ALDH1A1TSHRPPARGGPR132MEN1
SCHEMBL28644346 0.88 ALDH1A1 (0.39) ALDH1A1TSHRPPARGGPR132MEN1
SCHEMBL28651600 0.88 ALDH1A1 (0.39) ALDH1A1TSHRPPARGGPR132MEN1
SCHEMBL31141236 0.87 ALDH1A1 (0.46) ALDH1A1TSHRPPARGGPR132MEN1
SCHEMBL31141211 0.87 ALDH1A1 (0.46) ALDH1A1TSHRPPARGGPR132MEN1
SCHEMBL26905308 0.87 ALDH1A1 (0.39) ALDH1A1TSHRPPARGGPR132MEN1
SCHEMBL30679542 0.87 ALDH1A1 (0.39) ALDH1A1TSHRPPARGGPR132MEN1
SCHEMBL28646506 0.86 ALDH1A1 (0.44) ALDH1A1TSHRPPARGGPR132MEN1

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-113443971-A Method for producing alkynylalkoxymethyl ether compound and method for producing conjugated diene compound therefrom 信越化学工业株式会社 2021-09-28 CN disclosed