SCHEMBL7769335

SCHEMBL7769335

OC(O)CCCN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.52
MAPT P10636 3/20 0.46
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
LMNA P02545 1/20 0.35
CXCR4 P61073 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
SCHEMBL5550758 0.84 MEN1 (0.46) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL18668199 0.82 MEN1 (0.50) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL21990873 0.82 MEN1 (0.50) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL20143830 0.81 PAOX (0.47) MAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL30284799 0.81 HRH3 (0.48) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL8859613 0.79 HRH3 (0.46) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL7388734 0.79 HRH3 (0.53) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL1408782 0.79 CXCR4 (0.50) HRH3SMN1; SMN2ALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL8859604 0.78 HRH3 (0.50) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL21592430 0.76 CARM1 (0.43) HRH3MAPTCYP1A2MAPK1SMN1; SMN2

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
EP-0693514-B1 AMIDES AND ETHERS OF PERFLUOROPOLYOXYALKYLENE SULPHONIC- OR PERFLUOROPOLYOXYALKYLENE CARBOXYLIC ACIDS AND A METHOD OF OBTAINING THE SAME AVTOKONINVEST AO (RU) 2001-08-01 EP disclosed
US-5606098-A Amides and esters of perfluoropolyoxaalkylene-sulfo- or perfluoropolyoxaalkylene-carboxylic acids and a process for producing same AO "AVTOKONINVEST" (RU) 1997-02-25 US disclosed
EP-0693514-A1 AMIDES AND ETHERS OF PERFLUOROPOLYOXYALKYLENE SULPHONIC- OR PERFLUOROPOLYOXYALKYLENE CARBOXYLIC ACIDS AND A METHOD OF OBTAINING THE SAME AO "Avtokoninvest" (RU) 1996-01-24 EP disclosed