SCHEMBL28183155

SCHEMBL28183155

C=C(C)C(=O)OC.[CH2]CCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TSHR P16473 3/20 0.56
EPHX1 P07099 4/20 0.41
ZDHHC7 Q9NXF8 1/20 0.38
CES2 O00748 4/20 0.37
THRB P10828 2/20 0.37
THRA P10827 1/20 0.37
POLB P06746 1/20 0.36
POLA1 P09884 1/20 0.36
FAAH O00519 1/20 0.36
CES1 P23141 2/20 0.35

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
Heptane SCHEMBL8159285 0.92 ALDH1A1 (0.68) ALDH1A1TSHREPHX1ZDHHC7CES2
Hexane SCHEMBL27951935 0.90 ALDH1A1 (0.71) ALDH1A1TSHREPHX1ZDHHC7CES2
SCHEMBL21405688 0.83 ALDH1A1 (0.56) ALDH1A1TSHREPHX1ZDHHC7CES2
SCHEMBL27294566 0.83 ALDH1A1 (0.56) ALDH1A1TSHREPHX1ZDHHC7CES2
SCHEMBL18221812 0.81 TSHR (0.86) ALDH1A1TSHREPHX1CES2THRB
SCHEMBL9299625 0.81 TSHR (0.86) ALDH1A1TSHREPHX1CES2THRB
Bromide SCHEMBL8730937 0.81 ALDH1A1 (0.54) ALDH1A1TSHREPHX1ZDHHC7CES2
SCHEMBL2060012 0.81 TSHR (0.86) ALDH1A1TSHREPHX1CES2THRB
SCHEMBL7089029 0.81 TSHR (0.86) ALDH1A1TSHREPHX1CES2THRB
SCHEMBL3190827 0.81 TSHR (0.86) ALDH1A1TSHREPHX1CES2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026369-B Resin combination and the method for inhibiting the bending fracture strain of oil/fat composition to reduce 宝理塑料株式会社 2019-05-17 CN disclosed
CN-104072992-B Insert-molding resin combination, metal-resin composite shaped body and its manufacturing method using it 宝理塑料株式会社 2019-04-09 CN disclosed
CN-104227930-B Metal-resin composite shaped body and its manufacturing method 宝理塑料株式会社 2019-02-22 CN disclosed
CN-108699323-A Polybutylene terephthalate resin composition and metal composite member 胜技高分子株式会社 2018-10-23 CN disclosed
CN-108026369-A The method that the bending fracture strain of resin combination and suppression oil/fat composition reduces 宝理塑料株式会社 2018-05-11 CN disclosed
CN-104231627-B Metal-resin composite shaped body and its manufacture method 宝理塑料株式会社 2018-04-13 CN disclosed
CN-104098898-B Insert-molding resin combination, metal-resin composite shaped body and its manufacture method using it 宝理塑料株式会社 2018-03-13 CN disclosed
CN-105073375-B Metal-resin bonded body and method for producing same 日本轻金属株式会社 2018-01-05 CN disclosed