SCHEMBL11033307

SCHEMBL11033307

O=C(O)c1ccc2c(c1)C(=O)N(CCCCCO)C2=O

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.77
ALDH1A1 P00352 5/20 0.71
TSHR P16473 1/20 0.71
POLB P06746 2/20 0.61
KDM4E B2RXH2 5/20 0.61
MAPK1 P28482 1/20 0.61
HSD17B10 Q99714 1/20 0.61
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
HTT P42858 2/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
RGS12 O14924 1/20 0.59
LMNA P02545 1/20 0.59
PABPC1 P11940 1/20 0.59
RECQL P46063 1/20 0.59
HPGD P15428 1/20 0.57
GAA P10253 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53

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
SCHEMBL11724761 1.00 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1TSHRPOLBKDM4E
SCHEMBL9201916 1.00 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1TSHRPOLBKDM4E
SCHEMBL11723011 0.98 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1TSHRPOLBKDM4E
SCHEMBL11724647 0.94 ALDH1A1 (0.80) SMN1; SMN2ALDH1A1TSHRPOLBKDM4E
SCHEMBL5864233 0.94 SMN1; SMN2 (0.86) SMN1; SMN2ALDH1A1TSHRPOLBKDM4E
SCHEMBL10632178 0.88 POLB (0.69) SMN1; SMN2ALDH1A1TSHRPOLBKDM4E
SCHEMBL292284 0.87 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1TSHRPOLBHSD17B10
SCHEMBL10353400 0.87 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1TSHRPOLBMAPK1
SCHEMBL17973600 0.87 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1TSHRPOLBHSD17B10
SCHEMBL28350853 0.87 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1TSHRPOLBMAPK1

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-4631333-A SOLUTION POLYMERIZATION BAYER AKTIENGESELLSCHAFT (DE) 1986-12-23 US claimed