SCHEMBL3454091

SCHEMBL3454091

Cc1nc(-c2c(OCCC3CC3)cc[nH]c2=O)sc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TARBP2 Q15633 2/20 0.39
KDM4E B2RXH2 4/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
XDH P47989 3/20 0.36
ABCC4 O15439 1/20 0.36
ABCB11 O95342 1/20 0.36
PGR P06401 1/20 0.36
CHRM1 P11229 1/20 0.36
PDE4A P27815 1/20 0.36
BLVRB P30043 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL3454331 0.90 SMN1; SMN2 (0.41) SMN1; SMN2TARBP2KDM4ERAB9AGAA
SCHEMBL3454105 0.89 LMNA (0.44) SCDSMN1; SMN2KDM4ERAB9AGAA
SCHEMBL3478653 0.86 SCD (0.59) SCD
SCHEMBL3454545 0.83 SCD (0.49) SCDPPARDPPARA
SCHEMBL3454672 0.81 SCD (0.53) SCD
SCHEMBL3454854 0.81 SMN1; SMN2 (0.48) SMN1; SMN2TARBP2KDM4ERAB9AGAA
SCHEMBL3454195 0.81 SMN1; SMN2 (0.50) SCDSMN1; SMN2TARBP2KDM4ERAB9A
SCHEMBL3454224 0.79 LMNA (0.46) SMN1; SMN2KDM4ERAB9AGAAKMT2A
SCHEMBL3454951 0.78 SMN1; SMN2 (0.42) SMN1; SMN2TARBP2KDM4ERAB9AGAA
SCHEMBL3454212 0.76 SMN1; SMN2 (0.39) SCDSMN1; SMN2TARBP2KDM4ERAB9A

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
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO claimed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed