SCHEMBL787715

SCHEMBL787715

CC(=O)C(c1ccccn1)c1ccc(OCC(C)C)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
ABCB11 O95342 1/20 0.41
ESR1 P03372 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4A P27815 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
STAT6 P42226 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC16A3 O15427 2/20 0.38

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
SCHEMBL788027 0.85 LMNA (0.44) KDM4ETSHRLMNAABCB11ESR1
SCHEMBL989479 0.82 CYP1A2 (0.43) KDM4ETSHRLMNAABCB11ESR1
SCHEMBL787536 0.80 SLC16A3 (0.36) KDM4ETSHRLMNAABCB11ESR1
SCHEMBL933418 0.79 LMNA (0.46) KDM4ETSHRLMNAABCB11ESR1
SCHEMBL933045 0.79 PTGS1 (0.43) KDM4ETSHRLMNAABCB11ESR1
SCHEMBL3404982 0.77 ALDH1A1 (0.48) KDM4ETSHRLMNAABCB11ESR1
SCHEMBL11568630 0.77 GPR88 (0.44) LMNAMAPTMDM2MCL1KAT6A
SCHEMBL933744 0.75 ALDH1A1 (0.43) KDM4ETSHRLMNAABCB11ESR1
SCHEMBL15751641 0.70 KDM4E (0.51) KDM4ELMNAALDH1A1CYP1A2MAPT
SCHEMBL934996 0.69 ALDH1A1 (0.46) KDM4ETSHRLMNAABCB11ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3380085-A1 ORAL PREPARATIONS WITH OMEPRAZOLE OR PANTOPRAZOLE Symrise AG (DE) 2018-10-03 EP disclosed
WO-2017088936-A1 ORAL PREPARATIONS WITH OMEPRAZOLE OR PANTOPRAZOLE SYMRISE AG (DE) 2017-06-01 WO disclosed
WO-2014083202-A1 USE OF CINNAMIC ACID DERIVATIVES CONTAINING NITROGEN AS FLAVOURING AGENTS SYMRISE AG (DE) 2014-06-05 WO disclosed
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
EP-2451781-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR Givaudan SA (CH) 2012-05-16 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
WO-2011004016-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2011-01-13 WO disclosed