SCHEMBL4440096

SCHEMBL4440096

CC(C)(C)OC(=O)c1[nH]c2c(c1C(=O)O)CCCC2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.36
PTK2 Q05397 1/20 0.35
KDM4E B2RXH2 5/20 0.34
HSD17B10 Q99714 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
IGF1R P08069 1/20 0.32
CXCR2 P25025 1/20 0.31
ADORA1 P30542 1/20 0.30
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL3597437 0.85 BRD4 (0.50) BRD4KDM4EHSD17B10L3MBTL1MAPT
SCHEMBL689067 0.73 BRD4 (0.45) BRD4PTK2KDM4EHSD17B10MAPT
SCHEMBL3592938 0.72 BRD4 (0.60) BRD4KDM4EHSD17B10L3MBTL1MAPT
SCHEMBL31696410 0.70 KDM4E (0.42) BRD4PTK2KDM4EHSD17B10L3MBTL1
SCHEMBL688491 0.65 BRD4 (0.58) BRD4KDM4EHSD17B10L3MBTL1MAPT
SCHEMBL13983006 0.64 ALDH1A1 (0.63) L3MBTL1SMN1; SMN2KMT2AALDH1A1TSHR
SCHEMBL23649464 0.63 CCNB2 (0.39) BRD4KDM4EL3MBTL1MAPTSMN1; SMN2
SCHEMBL5253717 0.63 KDM4E (0.39) BRD4PTK2KDM4EHSD17B10L3MBTL1
SCHEMBL6580237 0.62 GRM6 (0.40) HSD17B10ALDH1A1TSHRLMNAADORA1
SCHEMBL30580683 0.62 KDM4E (0.54) KDM4EHSD17B10MAPTMEN1KMT2A

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-2118102-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES Nerviano Medical Sciences S.r.l. (IT) 2009-11-18 EP disclosed
WO-2008065054-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-05 WO disclosed