SCHEMBL8303924

SCHEMBL8303924

CC(NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TYR P14679 1/20 0.41
SDCBP O00560 3/20 0.41
SDC2 P34741 3/20 0.41
CYP1A2 P05177 1/20 0.39
MME P08473 1/20 0.38
ECE1 P42892 1/20 0.38
CAPN1 P07384 1/20 0.38
CTSK P43235 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5689687 1.00 PNMT (0.44) PNMTNPC1RAB9ATYRSDCBP
SCHEMBL22804044 1.00 PNMT (0.44) PNMTNPC1RAB9ATYRSDCBP
SCHEMBL30762790 1.00 PNMT (0.44) PNMTNPC1RAB9ATYRSDCBP
SCHEMBL31026357 0.96 SDCBP (0.43) PNMTNPC1RAB9ATYRSDCBP
SCHEMBL29084932 0.96 SDCBP (0.43) PNMTNPC1RAB9ATYRSDCBP
Valine SCHEMBL28455218 0.93 PNMT (0.41) PNMTNPC1RAB9ATYRSDCBP
SCHEMBL30762664 0.89 TYR (0.43) PNMTNPC1RAB9ATYRMME
SCHEMBL22804105 0.89 TYR (0.43) PNMTNPC1RAB9ATYRMME
SCHEMBL9052782 0.89 TYR (0.43) PNMTNPC1RAB9ATYRMME
SCHEMBL3727529 0.89 TYR (0.43) PNMTNPC1RAB9ATYRMME

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112159461-B Synthesis method of cetrorelix 开封明仁药业有限公司 2023-03-10 CN claimed
CN-113527416-A Preparation method of nitroreductase responsive amino acid and tumor hypoxia fluorescent probe 南开大学 2021-10-22 CN claimed
CN-112159461-A Synthesis method of cetrorelix 开封明仁药业有限公司 2021-01-01 CN 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-102702327-B Solid-liquid phase synthesis method for alarelin acetate GL BIOCHEM SHANGHAI CO LTD 2013-10-30 CN claimed
CN-101224306-B Folic acid-polypeptide compound-mediated targeting anti-tumor prodrug and preparing method thereof UNIV SUN YAT SEN 2011-04-20 CN claimed
EP-4682168-A1 ANTI-LIV-1 ANTIBODY AND ANTI-LIV-1 ANTIBODY-DRUG CONJUGATE, AND PHARMACEUTICAL USE THEREOF BioRay Pharmaceutical Co., Ltd. (CN) 2026-01-21 EP disclosed
CN-119350530-A Preparation method of 2-chlorotrityl alcohol resin, 2-CTC resin and polypeptide solid phase 江苏海普功能材料有限公司 2025-01-24 CN disclosed
WO-2024188339-A1 ANTI-LIV-1 ANTIBODY AND ANTI-LIV-1 ANTIBODY-DRUG CONJUGATE, AND PHARMACEUTICAL USE THEREOF 浙江博锐生物制药有限公司 2024-09-19 WO disclosed
CN-114920804-B Cetrorelix synthesis process capable of being directly used for pilot scale amplification 厦门胜泽泰医药科技有限公司 2024-07-30 CN disclosed
CN-118165078-A Bacillus subtilis source antibacterial peptide NDYT-8 and application thereof 华南理工大学 2024-06-11 CN disclosed
CN-114437714-B Circular polarization luminescent material based on enantioselective co-assembly and application thereof 中国科学院化学研究所 2023-09-29 CN disclosed
CN-112159461-B Synthesis method of cetrorelix 开封明仁药业有限公司 2023-03-10 CN disclosed
EP-0646596-B1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1999-05-26 EP disclosed
US-5849893-A Nucleic acid-binding oligomers possessing C-branching for therapy and diagnostics BAYER AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
EP-0646596-A1 Nucleic acid binding oligomers having C-branches for therapy and diagnosis BAYER AG (DE) 1995-04-05 EP disclosed
EP-0384523-B1 New gem-diamino derivatives and their use in the synthesis of retro-inverso peptides ENIRICERCHE SPA (IT) 1994-06-01 EP disclosed
WO-1993023570-A1 OLIGONUCLEOTIDES HAVING CONJUGATES ATTACHED AT THE 2'-POSITION OF THE SUGAR MOIETY PHARMAGENICS, INC. (US) 1993-11-25 WO disclosed
US-5219988-A GEM-DIAMINO DERIVATIVES AND THEIR USE IN THE SYNTHESIS OF RETRO-INVERSO PEPTIDES ENIRICERCHE S.P.A. (IT) 1993-06-15 US disclosed
EP-0384523-A2 New gem-diamino derivatives and their use in the synthesis of retro-inverso peptides ENIRICERCHE S.p.A. (IT) 1990-08-29 EP disclosed