SCHEMBL27355281

SCHEMBL27355281

CC(C)(CC=O)CCCCCCC=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
HIF1A Q16665 1/20 0.39
FFAR1 O14842 1/20 0.37
CPT2 P23786 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACLY P53396 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL27377249 0.84 TSHR (0.48) TSHRFAAHTRPV1HIF1AFFAR1
SCHEMBL27785813 0.83 TSHR (0.46) TSHRFAAHTRPV1HIF1AFFAR1
SCHEMBL3372731 0.83 TDP1 (0.33) FFAR1CPT2TDP1ALDH1A1
SCHEMBL27302387 0.82 TSHR (0.52) TSHRFAAHTRPV1HIF1AFFAR1
SCHEMBL1783385 0.82 TSHR (0.52) TSHRFAAHTRPV1HIF1AFFAR1
SCHEMBL8813603 0.82 TSHR (0.52) TSHRFAAHTRPV1HIF1AFFAR1
SCHEMBL7450960 0.82 TSHR (0.52) TSHRFAAHTRPV1HIF1AFFAR1
SCHEMBL1783923 0.82 TSHR (0.46) TSHRFAAHTRPV1FFAR1CPT2
SCHEMBL16526737 0.82 TSHR (0.46) TSHRFAAHTRPV1FFAR1CPT2
SCHEMBL9520083 0.82 TSHR (0.46) TSHRFAAHTRPV1FFAR1CPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1326920-A Dimethyl-decadial, its preparing method and its use KURARAY CO (JP) 2001-12-19 CN disclosed
CN-1070873-C Polyurethane and molded article comprising the same KURARAY CO (JP) 2001-09-12 CN disclosed
CN-1133303-A Polyurethane and molded article comprising the same KURARAY CO (JP) 1996-10-16 CN disclosed