SCHEMBL6152600

SCHEMBL6152600

O=[C]C12CC3CC(C1)CC(C(=O)O)(C3)C2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.45
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD11B1 P28845 1/20 0.33
RBP4 P02753 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 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
SCHEMBL4887218 0.83 PKM (0.46) PKML3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL5081752 0.82 PKM (0.34) PKML3MBTL1ALDH1A1
SCHEMBL164232 0.81 L3MBTL1 (0.58) PKML3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL14493665 0.81 L3MBTL1 (0.58) PKML3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL13589980 0.81 L3MBTL1 (0.58) PKML3MBTL1ALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL1061966 0.79 L3MBTL1 (0.61) PKML3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL5486305 0.79 L3MBTL1 (0.56) PKML3MBTL1ALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL4712251 0.79 L3MBTL1 (0.61) PKML3MBTL1ALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL4712253 0.79 L3MBTL1 (0.61) PKML3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL692515 0.79 LMNA (0.30) PKMSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948361-B1 MAGNETIC RESONANCE BLOOD POOL AGENTS MALLINCKRODT INC (US) 2005-01-26 EP claimed
EP-0948361-A4 MAGNETIC RESONANCE BLOOD POOL AGENTS MALLINCKRODT MEDICAL INC (US) 2001-02-07 EP claimed
EP-0948361-A1 MAGNETIC RESONANCE BLOOD POOL AGENTS MALLINCKRODT MEDICAL, INC. (US) 1999-10-13 EP claimed
US-5961953-A CONTAINING BICYCLO(2.2.2)OCTANE, ADAMANTANE, OR DICYCLOHEXYLACETYL GROUPS AND CHELATING GROUPS MALLINCKRODT INC. (US) 1999-10-05 US claimed
US-5888476-A ADMINISTERING A GADOLINIUM COMPLEX AS A CONTRAST AGENT FOR MAGNETIC RESONANCE IMAGING WHICH INCREASE RELAXIVITY OF WATER PROTONS SURROUNDING THE TISSUE MALLINCKRODT MEDICAL, INC. (US) 1999-03-30 US claimed
WO-1998020908-A1 MAGNETIC RESONANCE BLOOD POOL AGENTS MALLINCKRODT MEDICAL, INC. (US) 1998-05-22 WO claimed