SCHEMBL28640772

SCHEMBL28640772

CC=CCCC=CC=CCCCC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
FASN P49327 1/20 0.47
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
FAAH O00519 6/20 0.39
KDM4E B2RXH2 1/20 0.39
TOP1 P11387 2/20 0.39
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
PPARG P37231 2/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL21044846 0.92 FASN (0.55) TSHRALDH1A1FASNF7F3
SCHEMBL28161726 0.90 FASN (0.59) TSHRALDH1A1FASNF7F3
SCHEMBL10342312 0.89 F7 (0.48) F7F3FAAHTOP1PPARG
SCHEMBL10342310 0.89 F7 (0.48) F7F3FAAHTOP1PPARG
SCHEMBL50914 0.89
SCHEMBL50913 0.89
SCHEMBL14038327 0.89
SCHEMBL7701482 0.88 TSHR (0.39) TSHRALDH1A1FASNF7F3
SCHEMBL29553091 0.87 FASN (0.61) TSHRALDH1A1FASNF7F3
SCHEMBL28014712 0.87 FASN (0.61) TSHRALDH1A1FASNF7F3

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-113227240-A Heavy type layered pad 埃克森美孚化学专利公司 2021-08-06 CN disclosed