SCHEMBL1830397

SCHEMBL1830397

O=C(OCc1cccc2c1Cc1ccccc1-2)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.57
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTR2B P41595 3/20 0.43
HTR7 P34969 2/20 0.43
DRD2 P14416 3/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL7699409 0.94 PNMT (0.54) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL14975286 0.91 PNMT (0.51) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL7699410 0.90 PNMT (0.50) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL1830400 0.89 PNMT (0.55) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL8671794 0.89 PNMT (0.55) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL17456835 0.89 PNMT (0.52) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL27921405 0.89 PNMT (0.49) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL896998 0.88 PNMT (0.54) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL8473288 0.88 PNMT (0.54) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL8473291 0.88 PNMT (0.54) PNMTNPC1RAB9AHTR2BHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012131077-A1 SOMATOSTATIN MIMETICS NATIONAL UNIVERSITY OF IRELAND, GALWAY (IE) 2012-10-04 WO claimed
EP-4370136-A2 SIMPLE CHEMICAL APPROACHES TO INTRODUCE 2,6-DIAMINOPURINE AND 2-AMINOADENINE CONJUGATES INTO OLIGONUCLEOTIDES Alnylam Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
WO-2023198857-A1 \"GOOD\" BUFFER-BASED CATIONIC LIPIDS SANOFI (FR) 2023-10-19 WO disclosed
WO-2023196342-A1 α4β1/7 INTEGRIN LIGAND CONJUGATED COMPOUNDS AND USES THEREOF ADARX PHARMACEUTICALS, INC. (US) 2023-10-12 WO disclosed
WO-2023178167-A1 ASYMMETRIC PIPERAZINE-BASED CATIONIC LIPIDS TRANSLATE BIO, INC. (US) 2023-09-21 WO disclosed
WO-2023096904-A2 C-16 MODIFIED TRIOXACARCINS, ANTIBODY DRUG CONJUGATES, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-06-01 WO disclosed
EP-4164752-A1 INHIBITORS OF TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2023-04-19 EP disclosed
EP-4161651-A1 QUINAZOLINE-DERIVED HCK INHIBITORS FOR USE IN THE TREATMENT OF MYD88 MUTATED DISEASES Dana-Farber Cancer Institute, Inc. (US) 2023-04-12 EP disclosed
WO-2023288045-A2 SIMPLE CHEMICAL APPROACHES TO INTRODUCE 2,6-DIAMINOPURINE AND 2-AMINOADENINE CONJUGATES INTO OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2023-01-19 WO disclosed
EP-4081202-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2022-11-02 EP disclosed
WO-2010011313-A2 LIGATION OF STAPLED POLYPEPTIDES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-01-28 WO disclosed
WO-2010006343-A2 GLYCOPEPTIDE CONSTRUCTS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-01-14 WO disclosed
WO-2008028057-A2 SHIKIMIC ACID-DERIVED COMPOUNDS FOR INHIBITION AND DETECTION OF AURORA A-ASSOCIATED TUMORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-03-06 WO disclosed
EP-1027070-A4 CONJUGATE HEAT SHOCK PROTEIN-BINDING PEPTIDES SLOAN KETTERING INSTITUTEFOR C (US) 2004-08-18 EP disclosed
US-20030194409-A1 Conjugate heat shock protein-binding peptides ROTHMAN JAMES E (US) 2003-10-16 US disclosed
US-20030166530-A1 Conjugate heat shock protein-binding peptides ROTHMAN JAMES E (US) 2003-09-04 US disclosed
US-20030134787-A1 Conjugate heat shock protein-binding peptides ROTHMAN JAMES E (US) 2003-07-17 US disclosed
EP-1027070-A1 CONJUGATE HEAT SHOCK PROTEIN-BINDING PEPTIDES Sloan-Kettering Institute For Cancer Research (US) 2000-08-16 EP disclosed
WO-1999022761-A9 CONJUGATE HEAT SHOCK PROTEIN-BINDING PEPTIDES SLOAN KETTERING INST CANCER (US) 1999-08-12 WO disclosed
WO-1999022761-A1 CONJUGATE HEAT SHOCK PROTEIN-BINDING PEPTIDES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1999-05-14 WO disclosed