SCHEMBL22804104

SCHEMBL22804104

CC(=O)N(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
BLM P54132 1/20 0.37
FOLH1 Q04609 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
OPRK1 P41145 2/20 0.36
LY96 Q9Y6Y9 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 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
SCHEMBL22804055 1.00 SLC7A5 (0.45) SLC7A5CTSSCTSKESR1ESR2
SCHEMBL6154754 1.00 SLC7A5 (0.45) SLC7A5CTSSCTSKESR1ESR2
SCHEMBL7273450 0.90 SLC7A5 (0.43) SLC7A5CTSSCTSKESR1ESR2
SCHEMBL6155226 0.88 CTSS (0.41) SLC7A5CTSSCTSKESR1ESR2
SCHEMBL17459537 0.85 TPSAB1 (0.45) CTSSCTSKITGA4ITGB7
SCHEMBL4778626 0.85 CTSS (0.44) SLC7A5CTSSCTSKESR1ESR2
SCHEMBL8766144 0.85 CTSS (0.44) SLC7A5CTSSCTSKESR1ESR2
SCHEMBL6661008 0.85 CTSS (0.44) SLC7A5CTSSCTSKESR1ESR2
SCHEMBL7163413 0.84 SLC7A5 (0.58) SLC7A5ESR1ESR2FOLH1
SCHEMBL7163410 0.84 SLC7A5 (0.58) SLC7A5ESR1ESR2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3988538-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Zhida Pharmaceutical Co., Ltd. (CN) 2022-04-27 EP claimed
WO-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 WO claimed
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 CN claimed
CN-112110834-B Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2022-10-21 CN disclosed
EP-3988538-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Zhida Pharmaceutical Co., Ltd. (CN) 2022-04-27 EP disclosed
WO-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 WO disclosed
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 CN disclosed