SCHEMBL8021072

SCHEMBL8021072

CC(C)Cc1ccc2c(c1)Oc1ccccc1C2C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
TAAR1 Q96RJ0 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PRMT1 Q99873 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 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
SCHEMBL22834295 1.00 BCHE (0.37) BCHEACHEMAOAMAOBL3MBTL1
SCHEMBL20052471 0.80 BCHE (0.40) BCHEACHEL3MBTL1TAAR1SLC6A2
SCHEMBL1241287 0.80 TP53 (0.36) BCHEACHEMAOAMAOBL3MBTL1
SCHEMBL25883003 0.79 AHR (0.44) BCHEACHEGABRA1GABRB2TAAR1
SCHEMBL29797921 0.76 MAOA (0.58) MAOAMAOBL3MBTL1MEN1USP2
SCHEMBL436702 0.76 MAOA (0.58) MAOAMAOBL3MBTL1MEN1USP2
SCHEMBL7509519 0.76 GABRA1 (0.40) MAOAMAOBL3MBTL1GABRA1GABRB2
SCHEMBL12205445 0.74 KMT2A (0.46) MAOAMAOBL3MBTL1MEN1USP2
SCHEMBL31545095 0.72 MEN1 (0.48) MAOAMAOBMEN1USP2KMT2A
SCHEMBL21117870 0.72 KDM4E (0.51) BCHEACHEGABRA1GABRB2TAAR1

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-0971731-A1 SUPPRESSION OF MALIGNANCY UTILIZING RIBONUCLEOTIDE REDUCTASE R1 Genesense Technologies, Inc. (CA) 2000-01-19 EP disclosed
WO-1998037878-A9 METHODS AND COMPOSITIONS FOR TREATING CYSTIC FIBROSIS 1999-02-11 WO disclosed
WO-1998041231-A1 SUPPRESSION OF MALIGNANCY UTILIZING RIBONUCLEOTIDE REDUCTASE R1 GENESENSE TECHNOLOGIES, INC. (CA) 1998-09-24 WO disclosed
WO-1998037878-A1 METHODS AND COMPOSITIONS FOR TREATING CYSTIC FIBROSIS GENZYME CORPORATION (US) 1998-09-03 WO disclosed
EP-0659211-A4 METHODS AND THERAPEUTIC COMPOSITIONS FOR TREATING CYSTIC FIBROSIS. GENZYME CORP (US) 1996-02-07 EP disclosed
EP-0659211-A1 METHODS AND THERAPEUTIC COMPOSITIONS FOR TREATING CYSTIC FIBROSIS GENZYME CORPORATION (US) 1995-06-28 EP disclosed
WO-1994004671-A1 METHODS AND THERAPEUTIC COMPOSITIONS FOR TREATING CYSTIC FIBROSIS GENZYME CORPORATION (US) 1994-03-03 WO disclosed