SCHEMBL8559241

SCHEMBL8559241

O=C(O)C(CCNS(=O)(=O)c1ccccc1)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MMP2 P08253 2/20 0.48
ADAMTS4 O75173 1/20 0.48
MMP13 P45452 1/20 0.48
MMP14 P50281 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48
TBXA2R P21731 3/20 0.48
TBXAS1 P24557 1/20 0.47
PPARG P37231 4/20 0.47
PPARA Q07869 4/20 0.47
MAPK1 P28482 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL28970941 0.82 LMNA (0.46) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL8442525 0.78 TBXA2R (0.52) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL8438812 0.78 ALDH1A1 (0.48) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL28523090 0.77 PPARG (0.52) PPARGPPARA
SCHEMBL2235887 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL13585322 0.76 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL8443298 0.76 PPARA (0.48) ALDH1A1KDM4ELMNASMN1; SMN2PPARG
SCHEMBL8438125 0.75 MMP2 (0.46) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL8439894 0.75 LMNA (0.44) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL11121354 0.75 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAPKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840330-A GRANULATING ACTIVE SUBSTANCE AND SUBSTANCE WHICH COMPENSATES FOR SELF-RETARDATION PROPERTIES, COMPRESSING WITH RELEASE-RETARDING AGENT SUCH THAT GRANULATE FORMS INNER PHASE AND RETARDANT OUTER PHASE BOEHRINGER MANNHELM GMBH (DE) 1998-11-24 US disclosed