SCHEMBL9506136

SCHEMBL9506136

CCCCC(CC)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
TSHR P16473 3/20 0.58
MAPK1 P28482 3/20 0.58
CYP3A4 P08684 3/20 0.55
LMNA P02545 3/20 0.55
HSD17B10 Q99714 1/20 0.55
CA2 P00918 1/20 0.54
NPC1 O15118 1/20 0.50
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
ESR1 P03372 1/20 0.44
ALOX5 P09917 2/20 0.44
GAA P10253 1/20 0.42
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
RECQL P46063 1/20 0.40

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
SCHEMBL1500563 0.87 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL6578078 0.85 ALDH1A1 (0.72) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL7734709 0.81 ALDH1A1 (0.68) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL3697616 0.81 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL27255797 0.80 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL6575565 0.80 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL27359831 0.80 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL27255791 0.80 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL7995097 0.80 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1CYP3A4LMNA
SCHEMBL29714768 0.79 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5140570-A None JP disclosed
US-11749805-B2 Liquid composition for forming electrochemical device, method of manufacturing electrodes, method of manufacturing electrochemical device and electrodes RICOH COMPANY, LTD. (JP) 2023-09-05 US disclosed
JP-H05140570-A INDENTIFICATION OF LIQUID HYDROCARBON USING CHEMICAL MARKER NALCO CHEM CO 1993-06-08 JP disclosed
EP-0512404-A1 Identification of liquid hydrocarbons using chemical markers NALCO CHEMICAL COMPANY (US) 1992-11-11 EP disclosed