SCHEMBL28294855

SCHEMBL28294855

C=C(C)C(=O)OCCCCCCC(O)CC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
THRB P10828 1/20 0.47
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.37
USP2 O75604 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR84 Q9NQS5 4/20 0.36
FFAR4 Q5NUL3 1/20 0.35
FFAR1 O14842 1/20 0.35
NAAA Q02083 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL28231088 1.00 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11584363 1.00 TSHR (0.64) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9931864 0.98 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1133357 0.93 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL372784 0.89 TSHR (0.77) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28231090 0.89 TSHR (0.67) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28230255 0.89 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18139561 0.87 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1014196 0.87 TSHR (0.74) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18139085 0.87 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110249019-A Adhesive composition 住友化学株式会社 2019-09-17 CN disclosed
CN-109790430-A Adhesive composition 住友化学株式会社 2019-05-21 CN disclosed