SCHEMBL5875138

SCHEMBL5875138

O=C(/C=C/C(=O)O[n+]1ccccc1)O[n+]1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HCAR2 Q8TDS4 3/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL1968073 1.00 KDM4E (0.32) KDM4EMAPTHPGDHSD17B10HCAR2
SCHEMBL7212969 0.81 THRB (0.35) HSD17B10
Hydrochloric Acid SCHEMBL9656022 0.79 THRB (0.34) HSD17B10
SCHEMBL5874788 0.76
SCHEMBL5875157 0.76
SCHEMBL936386 0.72 ALDH1A1 (0.32)
SCHEMBL1505860 0.72 MEN1 (0.30)
SCHEMBL175986 0.72 ALDH1A1 (0.32) KDM4EHPGDHSD17B10
SCHEMBL5874277 0.70 KMT2A (0.30)
Ammonia Solution, Strong SCHEMBL5844205 0.70 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed
US-4874850-A CATIONIC TENSIDES IN MICELLES WITH HYDROPHOBIC PEPTIDES; DRUG DELIVERY MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. (DE) 1989-10-17 US disclosed