SCHEMBL8370934

SCHEMBL8370934

CC(CC(C)[N+](=O)[O-])C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.44
NAALAD2 Q9Y3Q0 3/20 0.42
FOLH1 Q04609 2/20 0.42
ENPEP Q07075 2/20 0.42
GABRR1 P24046 2/20 0.38
CYP1A2 P05177 1/20 0.38
RNPEP Q9H4A4 1/20 0.33
BLM P54132 1/20 0.33
SLC7A5 Q01650 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL28271772 0.84 CPA1 (0.45) CPA1NAALAD2FOLH1ENPEPRNPEP
SCHEMBL18650054 0.78 CPA1 (0.33) CPA1
SCHEMBL19283710 0.78 CPA1 (0.41) CPA1RNPEPSLC7A5
SCHEMBL10704930 0.78 CPA1 (0.41) CPA1RNPEPSLC7A5
SCHEMBL8370767 0.77 CPA1 (0.48) CPA1HDAC1HDAC2
SCHEMBL8852399 0.77 CPA1 (0.40) CPA1RNPEPSLC7A5
SCHEMBL8852406 0.77 CPA1 (0.40) CPA1RNPEPSLC7A5
SCHEMBL27596158 0.77 CPA1 (0.48) CPA1NAALAD2FOLH1ENPEPGABRR1
SCHEMBL7314519 0.74 NAALAD2 (0.56) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL443229 0.74 NAALAD2 (0.56) NAALAD2FOLH1ENPEPGABRR1CYP1A2

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
CN-106963514-B Urinary device 科洛普拉斯特公司 2019-12-17 CN disclosed
EP-0710671-B1 2-Nitroalkyl ethers of native or modified starch, method for the preparation thereof, and ethers derived therefrom AVEBE COOP VERKOOP PROD (NL) 1999-02-10 EP disclosed
EP-0710671-A1 2-Nitroalkyl ethers of native or modified starch, method for the preparation thereof, and ethers derived therefrom Coöperatieve Verkoop- en Productievereniging van Aardappelmeel en Derivaten 'AVEBE' B.A. (NL) 1996-05-08 EP disclosed