SCHEMBL4820037

SCHEMBL4820037

C=C(C(=O)Cl)c1ccco1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
PTPN1 P18031 2/20 0.50
ALDH1A1 P00352 7/20 0.48
POLB P06746 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
RECQL P46063 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
THRB P10828 1/20 0.48
APEX1 P27695 1/20 0.48
HPGD P15428 2/20 0.44
AGTR1 P30556 1/20 0.44
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ERCC5 P28715 1/20 0.43

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
SCHEMBL13656481 0.82 CES2 (0.56) CES2CES1PTPN1ALDH1A1POLB
SCHEMBL146130 0.81 PTPN1 (0.63) CES2CES1PTPN1ALDH1A1POLB
SCHEMBL23069153 0.81 CES2 (0.58) CES2CES1PTPN1ALDH1A1POLB
SCHEMBL245406 0.79 CES2 (0.56) CES2CES1PTPN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL6744118 0.79 PTPN1 (0.61) CES2CES1PTPN1ALDH1A1POLB
SCHEMBL1553449 0.78 CES2 (0.74) CES2CES1PTPN1ALDH1A1POLB
SCHEMBL109405 0.78
Hydrochloric Acid SCHEMBL4129676 0.76
SCHEMBL27292956 0.76
SCHEMBL2029061 0.75 CES2 (0.55) CES2CES1PTPN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567379-B1 Photochemically crosslinked material for non-linear optical application THOMSON CSF (FR) 1997-07-23 EP claimed
JP-56122030-A None JP disclosed
CN-114573502-B Pleuromutilin aromatic heterocyclic acrylate compound, and synthetic method and application thereof 西安康远晟生物医药科技有限公司 2024-05-03 CN disclosed
CN-114507211-B Preparation method of 2, 3-naphthalimide derivative 华中科技大学 2023-03-10 CN disclosed
CN-114573502-A Pleuromutilin aromatic heterocyclic acrylate compounds and synthesis method and application thereof 西安康远晟生物医药科技有限公司 2022-06-03 CN disclosed
CN-114507211-A Preparation method of 2, 3-naphthalimide derivative 华中科技大学 2022-05-17 CN disclosed
CN-109928967-B Cyclized berberine derivative and preparation method and application thereof 中国医学科学院医药生物技术研究所 2020-09-04 CN disclosed
US-7396898-B2 Diamine, acid dianhydride, and reactive group containing polyimide composition prepared therefrom and process of preparing them KANEKA CORPORATION (JP) 2008-07-08 US disclosed
US-20040158030-A1 Diamine, acid dianhydride, polymide composition having reactive group obtained therefrom, and processes for producing these KANEKA CORPORATION (JP) 2004-08-12 US disclosed
US-6307002-B1 POLYIMIDES FROM TETRAACIDS AND DIAMINES KANEKA CORPORATION (JP) 2001-10-23 US disclosed
US-5496899-A Crosslinkable polymer material which may be used in non-linear optics and process for obtaining it FRANCE TELECOM (FR) 1996-03-05 US disclosed
EP-0189774-B1 PROCESS FOR PRODUCTION OF N,N-DISUBSTITUTED CARBOXYLIC ACID AMIDES TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1989-04-12 EP disclosed
US-4759991-A Substrate, ferromagnetic metal thin film and lubricating coating layer of graft copolymer of silicon and radical polymerizable monomer TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-07-26 US disclosed
US-4732951-A Polyether-based photopolymers SIEMENS AKTIENGESELLSCHAFT (DE) 1988-03-22 US disclosed
EP-0189774-A1 Process for production of N,N-disubstituted carboxylic acid amides TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1986-08-06 EP disclosed
JP-S56122030-A PHOTOSENSITIVE RESIN COMPOSITION DEVELOPABLE WITH AQUEOUS ALKALI SOLUTION DAICEL CHEM IND LTD 1981-09-25 JP disclosed