SCHEMBL570804

SCHEMBL570804

CCCCC(CC)CN1NC(c2ccccc2C)=C(CN)N1CC(CC)CCCC

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31
▸ CA2 P00918 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TLR8 Q9NR97 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
SCHEMBL27261064 0.81 ALDH1A1 (0.33) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL27742917 0.74 ALDH1A1 (0.33) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL28285821 0.69 ALDH1A1 (0.33) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL27358659 0.67 DPP4 (0.39) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL5455758 0.65 TLR8 (0.41) ALDH1A1MAPTMEN1KMT2ATLR8
SCHEMBL5449259 0.65 TLR8 (0.41) ALDH1A1GAATLR8
SCHEMBL5459334 0.65 TLR8 (0.41) ALDH1A1GAATLR8
SCHEMBL9491373 0.64 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL29783582 0.64 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMAPTMEN1
O-Xylene SCHEMBL10349866 0.63 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601245-A1 CYCLOSILOXANE-SUBSTITUTED POLYSILOXANE COMPOUNDS, COMPOSITIONS CONTAINING THE COMPOUNDS AND METHODS OF USE THEREOF Biofilm IP, LLC (US) 2013-06-12 — — EP claimed
WO-2012018403-A1 CYCLOSILOXANE-SUBSTITUTED POLYSILOXANE COMPOUNDS, COMPOSITIONS CONTAINING THE COMPOUNDS AND METHODS OF USE THEREOF BIOFILM IP, LLC (US) 2012-02-09 — — WO claimed
CN-118043438-A Fuel efficient shear stable axle lubricant 巴斯夫欧洲公司 2024-05-14 — — CN disclosed
CN-117561319-A O-alkylated sterically hindered antioxidants 松原实业有限公司 2024-02-13 — — CN disclosed
CN-116601263-A Compositions comprising alkylated diphenylamines with enhanced properties 松原实业有限公司 2023-08-15 — — CN disclosed
CN-111936559-B Hyperbranched polyesters and their use as wax inhibitors, as pour point depressants, as lubricants or in lubricating oils 巴斯夫欧洲公司 2022-08-30 — — CN disclosed
CN-112585249-B Lubricant composition 巴斯夫欧洲公司 2022-07-08 — — CN disclosed
CN-109477016-B Lubricant composition 巴斯夫欧洲公司 2022-05-31 — — CN disclosed
CN-105874043-B Lubricant composition 巴斯夫欧洲公司 2022-05-24 — — CN disclosed
CN-109804054-B Lubricant composition 巴斯夫欧洲公司 2022-04-05 — — CN disclosed
CN-105874042-B Lubricant composition 巴斯夫欧洲公司 2022-01-28 — — CN disclosed
EP-1364955-A1 Phosphorothionates Indian Oil Corporation Limited (IN) 2003-11-26 — — EP disclosed
US-6346630-B1 3-Arylbenzofuranones as stabilizers CIBA SPECIALTY CHEMICALS CORPORATION 2002-02-12 — — US disclosed
US-5922657-A USE IN INTERNAL COMBUSTION ENGINES AS HIGH PRESSURE, ANTIWEAR AGENTS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-07-13 — — US disclosed
US-5726339-A OXIDATION RESISTANCE FOR EXTREME PRESSURE LUBRICANTS AND HYDRAULIC FLUIDS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-03-10 — — US disclosed
US-5629440-A MONOTHIOIMIDE GROUP-CONTAINING COMPOUNDS ARE CLAIMED; LUBRICANTS AND HYDRAULIC FLUIDS CONTAINING THE COMPOUNDS HAVE OXIDATION RESISTANCE, EXTREME PRESSURE STABILITY, AND FRICTIONAL WEAR RESISTANCE CIBA-GEIGY CORPORATION (US) 1997-05-13 — — US disclosed
US-5354486-A A lubricant mixture consisting of 4-isopropionic acid or alky ester phenol; oxidation, radiation and heat resistance, nondeforming CIBA-GEIGY CORPORATION (US) 1994-10-11 — — US disclosed
US-5300243-A Wear, oxidation resistance CIBA-GEIGY CORPORATION (US) 1994-04-05 — — US disclosed
US-5167844-A Stabilized against thermal and oxidative degradation CIBA-GEIGY CORPORATION (US) 1992-12-01 — — US disclosed
US-5084195-A Hydraulic fluids or lubricants CIBA-GEIGY CORPORATION (US) 1992-01-28 — — US disclosed
Send feedback