SCHEMBL8553637

SCHEMBL8553637

CC(=O)OCCCS(=O)(=O)N1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CA2 P00918 1/20 0.38
CYP2C9 P11712 1/20 0.37
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
PAOX Q6QHF9 1/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR4 Q13639 1/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ENPP2 Q13822 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 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
SCHEMBL2426429 0.80 ALDH1A1 (0.40) ALDH1A1CA2LMNAKDM4EHTT
SCHEMBL12521990 0.80 MAPT (0.42) ALDH1A1LMNAL3MBTL1KDM4EHTR4
SCHEMBL2387235 0.75 L3MBTL1 (0.41) ALDH1A1LMNAL3MBTL1KDM4EHTR4
SCHEMBL12449176 0.75 ALDH1A1 (0.46) ALDH1A1CYP2C9LMNAL3MBTL1KDM4E
SCHEMBL8553638 0.73 PAOX (0.39) ALDH1A1LMNAL3MBTL1KDM4EPAOX
SCHEMBL2446798 0.73 L3MBTL1 (0.42) L3MBTL1KDM4EHTR4GAAPKM
SCHEMBL17039352 0.72 L3MBTL1 (0.45) ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL17033124 0.72 L3MBTL1 (0.41) L3MBTL1KDM4EHTR4GAAPKM
SCHEMBL31061327 0.72 L3MBTL1 (0.41) ALDH1A1LMNAL3MBTL1KDM4E
SCHEMBL1667133 0.72 L3MBTL1 (0.45) ALDH1A1LMNAL3MBTL1KDM4EHTT

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-0562440-B1 Imidazopyridazines as antiasthmatics TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-12-23 EP disclosed
US-5491145-A ANTIASTHMA, ANTI-PLATELET ACTIVATING FACTOR BRONCHOCONSTRICTION-INHIBITING AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-13 US disclosed
EP-0562440-A1 Imidazopyridazines as antiasthmatics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-29 EP disclosed