SCHEMBL28516593

SCHEMBL28516593

C=C(C(=O)OCC(C)c1ccccc1)C(=O)OCC(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
PKM P14618 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
TRPA1 O75762 3/20 0.41
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
FFAR1 O14842 1/20 0.38

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
SCHEMBL17550615 0.94 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ASMN1; SMN2HPGD
SCHEMBL17550625 0.94 KMT2A (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2NPSR1
SCHEMBL28516595 0.93 ALDH1A1 (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2NPSR1
SCHEMBL296808 0.88 TSHR (0.55) ALDH1A1KMT2ASMN1; SMN2NPSR1CYP2D6
SCHEMBL14468427 0.84 CYP1A2 (0.43) ALDH1A1KMT2ASMN1; SMN2NPSR1CYP2D6
SCHEMBL11142924 0.83 CYP1A2 (0.42) ALDH1A1KMT2ASMN1; SMN2NPSR1CYP2D6
SCHEMBL20503118 0.82 SMN1; SMN2 (0.47) ALDH1A1MAPTSMN1; SMN2CYP2D6LMNA
SCHEMBL1838251 0.82 CYP1A2 (0.47) ALDH1A1KMT2ASMN1; SMN2NPSR1CYP2D6
SCHEMBL1838254 0.82 CYP1A2 (0.47) ALDH1A1KMT2ASMN1; SMN2NPSR1CYP2D6
Acrylic Acid SCHEMBL28196913 0.82 TSHR (0.47) ALDH1A1KMT2ASMN1; SMN2NPSR1CYP2D6

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-112969756-A Acrylic resin composition, crosslinked material, and method for producing crosslinked material 株式会社日本触媒 2021-06-15 CN disclosed
CN-107075037-B Polymer comprising one or more 1, 1-disubstituted alkene compounds and polymer compositions thereof 赛鲁斯股份有限公司 2021-02-09 CN disclosed