SCHEMBL5740446

SCHEMBL5740446

COc1cccc(OC(=O)C(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
MTNR1B P49286 8/20 0.51
MTNR1A P48039 6/20 0.50
ELANE P08246 2/20 0.50
LMNA P02545 1/20 0.50
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
PARP1 P09874 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BCHE P06276 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL26564348 0.87 LMNA (0.61) ELANELMNAMEN1KMT2AALDH1A1
SCHEMBL16099852 0.86 PARP1 (0.50) CES2CES1MTNR1BMTNR1ALMNA
SCHEMBL28381698 0.84 CES2 (0.50) CES2CES1MTNR1BMTNR1ALMNA
SCHEMBL15994033 0.82 MTNR1B (0.49) CES2CES1MTNR1BMTNR1ALMNA
SCHEMBL15967555 0.82 MTNR1B (0.46) CES2CES1MTNR1BMTNR1ALMNA
SCHEMBL15987278 0.82 MTNR1B (0.46) CES2CES1MTNR1BMTNR1ALMNA
SCHEMBL361383 0.82 LMNA (0.66) CES2CES1MTNR1BMTNR1ALMNA
SCHEMBL28704390 0.82 PTGS1 (0.57) MTNR1BELANELMNAMEN1KMT2A
SCHEMBL10720409 0.81 CYP3A4 (0.70) ELANELMNAESR1ESR2MEN1
SCHEMBL12119292 0.81 LMNA (0.70) ELANELMNAMEN1KMT2AALDH1A1

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-1620438-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-02-01 EP disclosed
WO-2004094430-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-11-04 WO disclosed