SCHEMBL118249

SCHEMBL118249

[CH]1COOc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
LMNA P02545 2/20 0.31
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
HTT P42858 1/20 0.31
TRPA1 O75762 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
SCHEMBL19259524 0.77 ITGB2 (0.37) ABCG2ITGB2ICAM1ITGALLMNA
SCHEMBL395819 0.77 KDM4E (0.33) ABCG2ITGB2ICAM1ITGAL
SCHEMBL158578 0.75
SCHEMBL7003419 0.64 PKM (0.42) ABCG2ITGB2ICAM1ITGALLMNA
SCHEMBL630370 0.62 ABCG2 (0.31) ABCG2ITGB2ICAM1ITGAL
SCHEMBL131072 0.62 ITGB2 (0.52) ABCG2ITGB2ICAM1ITGALLMNA
SCHEMBL27603346 0.62 TRPA1 (0.43) TRPA1
SCHEMBL3556 0.62
SCHEMBL4744946 0.60 ABCG2 (0.33) ABCG2ITGB2ICAM1ITGALLMNA
SCHEMBL1420241 0.60 CYP2B6 (0.42) ABCG2ITGB2ICAM1ITGALLMNA

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 1351 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024044813-A1 NOVEL SELECTIVE INHIBITORS OF LYSYL OXIDASES PHARMAXIS LTD. (AU) 2024-03-07 WO claimed
WO-2023146818-A2 METHODS OF TREATING AMYLOID RELATED BRAIN DISORDERS USING NOVEL COMPOUNDS AND ANTIBODIES T3D THERAPEUTICS, INC. (US) 2023-08-03 WO claimed
CN-112142673-A Arylalkenole derivative and preparation method and application thereof 聊城大学 2020-12-29 CN claimed
EP-3548023-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D Therapeutics, Inc. (US) 2019-10-09 EP claimed
WO-2019173613-A1 SUBSTITUTED FUSED PYRROLO-DIAZEPINONES AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2019-09-12 WO claimed
EP-3416947-A1 TAF1 INHIBITORS FOR THE THERAPY OF CANCER CeMM - Forschungszentrum für Molekulare Medizin GmbH (AT) 2018-12-26 EP claimed
WO-2018109650-A1 SPIRO[CYCLOPENTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-06-21 WO claimed
WO-2018102399-A1 METHODS OF DOSE ADMINISTRATION FOR TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES T3D THERAPEUTICS, INC. (US) 2018-06-07 WO claimed
WO-2018102358-A1 METHODS OF TREATING OR PREVENTING COGNITIVE IMPAIRMENT USING INDANE ACETIC ACID DERIVATIVES BASED ON APOE4 GENOTYPE T3D THERAPEUTICS, INC. (US) 2018-06-07 WO claimed
EP-3273964-A1 METHODS OF TREATING LIVER DISEASE USING INDANE ACETIC ACID DERIVATIVES T3D Therapeutics Inc. (US) 2018-01-31 EP claimed
WO-1997030045-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 WO claimed
WO-1997030046-A1 4-(BENZO-1,3-DIOXOLYL)-PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 WO claimed
EP-0785923-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-07-30 EP claimed
EP-0776324-A1 ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1997-06-04 EP claimed
WO-1996011909-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-25 WO claimed
WO-1996006095-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1996-02-29 WO claimed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP claimed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO claimed
US-4808582-A LEARNING ENHANCEMENT DELALANDE S.A. (FR) 1989-02-28 US claimed
US-4636510-A 4-phenyl-tetrahydro-furano-pyridines and anti-depressant pharmaceutical compositions containing same BOEHRINGER INGELHEIM KG (DE) 1987-01-13 US claimed