SCHEMBL6537392

SCHEMBL6537392

CC1Nc2ccc(OS(=O)(=O)O)cc2C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
PTBP1 P26599 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ACHE P22303 9/20 0.35
BCHE P06276 6/20 0.35
ABCC4 O15439 3/20 0.35
ABCC1 P33527 2/20 0.35
STS P08842 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLCO1B1 Q9Y6L6 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
SCHEMBL24725924 0.72 MRGPRX2 (0.40) AR
SCHEMBL11326119 0.71 AR (0.39) MAPTALDH1A1HPGDSMN1; SMN2AR
SCHEMBL11516736 0.71 ALDH1A1 (0.39) ALDH1A1HPGDHTTLMNASMN1; SMN2
SCHEMBL11515721 0.69 CREBBP (0.53) MEN1KMT2AACHE
SCHEMBL9176307 0.67 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4135469 0.66 TDP1 (0.47) MAPTALDH1A1HPGDL3MBTL1MEN1
SCHEMBL29835939 0.65 ALDH1A1 (0.43) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL6874618 0.65 ALDH1A1 (0.43) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL27527087 0.64 GLA (0.41) MAPTALDH1A1HPGDHTTNPSR1
SCHEMBL7910581 0.63 GLA (0.53) GLAGAASTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828116-B1 Energy transfer assay method and reagent AMERSHAM BIOSCIENCES UK LIMITED (GB) 2004-12-07 US disclosed
EP-1086179-B1 ENERGY TRANSFER ASSAY METHOD AND REAGENT AMERSHAM BIOSCIENCES UK LTD (GB) 2003-04-23 EP disclosed
EP-1086179-A1 ENERGY TRANSFER ASSAY METHOD AND REAGENT Amersham Pharmacia Biotech UK Ltd. (GB) 2001-03-28 EP disclosed
WO-1999064519-A1 ENERGY TRANSFER ASSAY METHOD AND REAGENT AMERSHAM BIOSCIENCES CORP (GB) 1999-12-16 WO disclosed