SCHEMBL8553638

SCHEMBL8553638

CN1CCN(S(=O)(=O)CCCCC(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 5/20 0.37
NFKB1 P19838 1/20 0.37
PMP22 Q01453 1/20 0.37
AKR1B1 P15121 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
PPARA Q07869 6/20 0.35
GPR84 Q9NQS5 5/20 0.35
HDAC11 Q96DB2 5/20 0.35
TLR2 O60603 2/20 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
SCHEMBL19402872 0.91 LMNA (0.46) LMNACYP1A2MAPK1SMN1; SMN2GAA
SCHEMBL19402735 0.85 LMNA (0.42) LMNACYP1A2MAPK1SMN1; SMN2L3MBTL1
SCHEMBL31609077 0.82 CYP1A2 (0.48) LMNACYP1A2MAPK1SMN1; SMN2L3MBTL1
SCHEMBL2387235 0.78 L3MBTL1 (0.41) LMNASMN1; SMN2L3MBTL1GAAPKM
SCHEMBL23420241 0.77 TSHR (0.48) LMNATSHRALDH1A1KDM4EKMT2A
SCHEMBL19402721 0.77 APEX1 (0.50) LMNACYP1A2MAPK1SMN1; SMN2L3MBTL1
SCHEMBL17832628 0.77 FAAH (0.42) L3MBTL1GAAPKMKDM4E
SCHEMBL14566980 0.77 FAAH (0.42) L3MBTL1GAAPKMKDM4E
SCHEMBL3335249 0.77 FAAH (0.42) L3MBTL1GAAPKMKDM4E
SCHEMBL2446798 0.76 L3MBTL1 (0.42) SMN1; SMN2L3MBTL1GAAPKMTSHR

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