SCHEMBL4591776

SCHEMBL4591776

O=C1C2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc2c(c1)oc1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 1/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 2/20 0.54
HSD17B10 Q99714 1/20 0.54
TSHR P16473 3/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 1/20 0.53
USP2 O75604 1/20 0.47
PTGER4 P35408 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL3198852 1.00 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL3198842 1.00 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL3199810 0.92 POLB (0.56) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL3199805 0.92 POLB (0.56) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL3181265 0.82 L3MBTL1 (0.47) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL5922888 0.82 MEN1 (0.51) KDM4EHPGDKMT2ATSHRNPSR1
SCHEMBL3181268 0.82 L3MBTL1 (0.47) SMN1; SMN2KDM4ENPC1HPGDRAB9A
SCHEMBL3186156 0.80 TSHR (0.61) SMN1; SMN2KDM4EHPGDKMT2AHSD17B10
SCHEMBL3186148 0.80 TSHR (0.61) SMN1; SMN2KDM4EHPGDKMT2AHSD17B10
SCHEMBL3198727 0.80 TSHR (0.61) SMN1; SMN2KDM4EHPGDKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379249-A4 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2008-01-09 EP claimed
EP-1379249-A1 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-01-14 EP claimed
WO-2002067939-A1 FUSED CYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-09-06 WO claimed