SCHEMBL9825869

SCHEMBL9825869

Cc1ccc(O)cc1S(=O)(=O)OCCC1COc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.43
MAOB P27338 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
MTNR1A P48039 2/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
AIMP2 Q13155 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 1/20 0.34
PTGDR Q13258 1/20 0.34

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
SCHEMBL9824856 0.90 ACLY (0.44) ACLYMAOBMALT1MTNR1ALMNA
SCHEMBL9826628 0.82 MEN1 (0.47) MTNR1ALMNAMEN1KMT2AAIMP2
SCHEMBL10513345 0.82 MEN1 (0.32) ACLYMAOBMEN1KMT2A
SCHEMBL9690306 0.79 LMNA (0.42) ACLYMALT1MTNR1ALMNAPOLB
SCHEMBL9825561 0.78 CA2 (0.48)
SCHEMBL11025933 0.75 MEN1 (0.48) MTNR1ALMNAMEN1KMT2AAIMP2
SCHEMBL11213080 0.73 MEN1 (0.38) LMNAMEN1KMT2AAIMP2MAPT
SCHEMBL8795201 0.73 GAA (0.45) LMNAPOLBMEN1KMT2AMAPT
SCHEMBL9824715 0.72 CA2 (0.60)
SCHEMBL9544977 0.71 CA2 (0.40) TP53MEN1KMT2ASIGMAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252005-B1 HYDROGENATED 1-BENZOOXACYCLOALKYL-PYRIDINE CARBOXYLIC-ACID COMPOUNDS CIBA-GEIGY AG (CH) 1991-07-10 EP disclosed
EP-0252005-A1 Hydrogenated 1-benzooxacycloalkyl-pyridine carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-07 EP disclosed