SCHEMBL787536

SCHEMBL787536

CC(C)COc1ccc(C(CC=O)c2ccccn2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.36
SLC16A1 P53985 3/20 0.36
AHR P35869 1/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
MDM2 Q00987 1/20 0.35
MCL1 Q07820 1/20 0.35
KAT6A Q92794 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
ABCB11 O95342 1/20 0.34
ESR1 P03372 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2C9 P11712 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL20446693 0.87 L3MBTL1 (0.44) AHRMAPTHPGDALDH1A1LMNA
SCHEMBL787715 0.80 KDM4E (0.41) SLC16A3SLC16A1MAPTMDM2MCL1
SCHEMBL6475519 0.72 SLC6A2 (0.48) KDM4EALDH1A1LMNACYP3A4TSHR
SCHEMBL11568630 0.70 GPR88 (0.44) MAPTPOLBHPGDXBP1MDM2
SCHEMBL6336949 0.68 SLC6A2 (0.53) KDM4EALDH1A1LMNACYP3A4TSHR
SCHEMBL933048 0.68 ADRB2 (0.40) POLBLMNAPDK2XDH
SCHEMBL946443 0.67 MAPT (0.60) MAPTKDM4EALDH1A1LMNACYP3A4
SCHEMBL946445 0.67 MAPT (0.60) MAPTKDM4EALDH1A1LMNACYP3A4
SCHEMBL19025135 0.67 TYR (0.60) MAPTPOLBLMNAXDH
SCHEMBL8018546 0.67 TYR (0.43) MAPTKDM4EALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615930-A2 TASTE ENHANCEMENT Givaudan SA (CH) 2013-07-24 EP disclosed
EP-2498623-A2 FLAVOUR ENHANCEMENT Givaudan SA (CH) 2012-09-19 EP disclosed
WO-2012035032-A2 TASTE ENHANCEMENT GIVAUDAN SA (CH) 2012-03-22 WO disclosed
WO-2011039340-A2 FLAVOUR ENHANCEMENT GIVAUDAN SA (CH) 2011-04-07 WO disclosed