SCHEMBL28777935

SCHEMBL28777935

CC=CC=CCCCCC=CCCC=CC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.47
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
FASN P49327 1/20 0.38
CNR2 P34972 9/20 0.36
CNR1 P21554 7/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
TOP1 P11387 2/20 0.34
TRPA1 O75762 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
FAAH O00519 1/20 0.32

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
SCHEMBL28777874 0.95 SOAT1 (0.50) SOAT1ALDH1A1TSHRFASNCNR2
SCHEMBL26624981 0.89 CNR2 (0.41) SOAT1ALDH1A1TSHRCNR2CNR1
SCHEMBL981669 0.86 SOAT1 (0.44) SOAT1ALDH1A1TSHRFASNCNR2
SCHEMBL981668 0.86 SOAT1 (0.44) SOAT1ALDH1A1TSHRFASNCNR2
SCHEMBL8438874 0.86 CNR2 (0.42) SOAT1ALDH1A1TSHRCNR2CNR1
SCHEMBL8438876 0.86 CNR2 (0.42) SOAT1ALDH1A1TSHRCNR2CNR1
SCHEMBL4357755 0.83 PPARA (0.41) SOAT1ALDH1A1TSHRCNR2CNR1
SCHEMBL4357758 0.83 PPARA (0.41) SOAT1ALDH1A1TSHRCNR2CNR1
SCHEMBL16149704 0.80 ALDH1A1 (0.50) SOAT1ALDH1A1TSHRFASNCNR2
SCHEMBL16149703 0.80 ALDH1A1 (0.50) SOAT1ALDH1A1TSHRFASNCNR2

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-114685732-A Oxazoline modified polypropylene 住友化学株式会社 2022-07-01 CN disclosed