SCHEMBL788027

SCHEMBL788027

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
TSHR P16473 3/20 0.44
CYP3A4 P08684 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ADRA1A P35348 2/20 0.44
HIF1A Q16665 2/20 0.44
PDE4A P27815 2/20 0.44
SLC6A3 Q01959 2/20 0.44
ABCB11 O95342 1/20 0.44
ESR1 P03372 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2C9 P11712 1/20 0.44
OPRK1 P41145 1/20 0.44
STAT6 P42226 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 6/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42

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
SCHEMBL989479 0.87 CYP1A2 (0.43) LMNATSHRCYP3A4KDM4EADRA1A
SCHEMBL787715 0.85 KDM4E (0.41) LMNATSHRCYP3A4KDM4EADRA1A
SCHEMBL933418 0.83 LMNA (0.46) LMNATSHRCYP3A4KDM4EADRA1A
SCHEMBL933045 0.83 PTGS1 (0.43) LMNATSHRCYP3A4KDM4EADRA1A
SCHEMBL3404982 0.81 ALDH1A1 (0.48) LMNATSHRCYP3A4KDM4EADRA1A
SCHEMBL28251775 0.80 TSHR (0.56) LMNATSHRCYP3A4KDM4EADRA1A
SCHEMBL933744 0.79 ALDH1A1 (0.43) LMNATSHRCYP3A4KDM4EADRA1A
SCHEMBL934996 0.78 ALDH1A1 (0.46) LMNATSHRCYP3A4KDM4EADRA1A
SCHEMBL20446693 0.77 L3MBTL1 (0.44) LMNATSHRPDE4ASLC6A3L3MBTL1
SCHEMBL27535652 0.75 TYR (0.49) LMNATSHRCYP3A4ADRA1AHIF1A

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4482306-A1 VOLATILE HDAC INHIBITORS FOR THERAPEUTIC AND PLANT APPLICATIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-01 EP claimed
WO-2023192424-A1 VOLATILE HD AC INHIBITORS FOR THERAPEUTIC AND PLANT APPLICATIONS CROSS-REFERENCE TO RELATED APPLICATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-05 WO claimed
EP-4496894-A1 METHODS FOR GENE AMPLIFICATION The University of Queensland (AU) 2025-01-29 EP disclosed
EP-4482306-A1 VOLATILE HDAC INHIBITORS FOR THERAPEUTIC AND PLANT APPLICATIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-01 EP disclosed
WO-2024133591-A2 DRY PARTICLE COATING TO PRODUCE STABLE POWDERS GIVAUDAN SA (CH) 2024-06-27 WO disclosed
EP-4351360-A1 FLAVOUR COMPOSITION Givaudan SA (CH) 2024-04-17 EP disclosed
WO-2024026450-A1 FLAVOR MODIFYING COMPOSITION CORN PRODUCTS DEVELOPMENT, INC. (US) 2024-02-01 WO disclosed
WO-2023192424-A1 VOLATILE HD AC INHIBITORS FOR THERAPEUTIC AND PLANT APPLICATIONS CROSS-REFERENCE TO RELATED APPLICATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-10-05 WO disclosed
WO-2023178381-A1 METHODS FOR GENE AMPLIFICATION THE UNIVERSITY OF QUEENSLAND (AU) 2023-09-28 WO disclosed
WO-2022258608-A1 FLAVOUR COMPOSITION GIVAUDAN SA (CH) 2022-12-15 WO disclosed
EP-3806661-A1 ANTAGONISTS OF T2R54 AND COMPOSITIONS AND USES THEREOF Firmenich Incorporated (US) 2021-04-21 EP disclosed
WO-2014060480-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-04-24 WO disclosed
WO-2013148965-A2 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2013-10-03 WO disclosed
WO-2013149019-A1 N-ACYLATED METHIONINE DERIVATIVES AS FOOD FLAVOURING COMPOUNDS GIVAUDAN S.A. (CH) 2013-10-03 WO disclosed
WO-2013149025-A1 N-ACYL SERINE DERIVATIVES AS FOOD FLAVOURING COMPOUNDS GIVAUDAN, S., A. (CH) 2013-10-03 WO disclosed
WO-2013149022-A1 N-ACYL PROLINE DERIVATIVES AS FOOD FLAVOURING COMPOUNDS GIVAUDAN S.A. (CH) 2013-10-03 WO disclosed
EP-2615930-A2 TASTE ENHANCEMENT Givaudan SA (CH) 2013-07-24 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-2011004016-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2011-01-13 WO disclosed