SCHEMBL28533464

SCHEMBL28533464

C=CCOC(=O)CCC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.36
ALDH1A1 P00352 4/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
APP P05067 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
EPHX2 P34913 1/20 0.31
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL28277872 0.94 TSHR (0.42) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL28277866 0.94 TSHR (0.44) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL11066540 0.81 LMNA (0.35) TSHRSMN1; SMN2ALDH1A1GAACYP3A4
SCHEMBL28474589 0.81 SMN1; SMN2 (0.42) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL25749303 0.80 SMN1; SMN2 (0.60) TSHRTDP1SMN1; SMN2L3MBTL1CASP1
SCHEMBL28276401 0.79 TSHR (0.50) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL12537388 0.78 SMN1; SMN2 (0.36) TSHRTDP1SMN1; SMN2CYP3A4L3MBTL1
SCHEMBL12537387 0.78 TSHR (0.44) TSHRTDP1SMN1; SMN2HPGD
SCHEMBL9709595 0.78 TSHR (0.59) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL10487568 0.76 SMN1; SMN2 (0.50) TSHRTDP1SMN1; SMN2

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-113150068-B Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2023-04-04 CN disclosed
CN-113150068-A Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2021-07-23 CN disclosed
CN-109517039-B Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2021-03-19 CN disclosed