SCHEMBL3430619

SCHEMBL3430619

CCOC(=O)C(O)(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
THRB P10828 1/20 0.41
HTT P42858 1/20 0.39
TRPA1 O75762 1/20 0.39
PIN1 Q13526 1/20 0.38
MMP8 P22894 1/20 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
SCHEMBL5874377 0.97 CYP4F2 (0.44) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL29073969 0.88 PKM (0.47) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL28597045 0.86 CYP4F2 (0.44) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL17785958 0.84 GAA (0.44) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL14672397 0.84 ALDH1A1 (0.44) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL891402 0.84 ALDH1A1 (0.44) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL27372325 0.81 TSHR (0.43) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL20704238 0.80 HCAR2 (0.39) ALDH1A1CYP4F2CYP4A11LMNAMEN1
SCHEMBL10322570 0.80 ALDH1A1 (0.42) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10
SCHEMBL28292727 0.79 ALDH1A1 (0.46) ALDH1A1CYP4F2CYP4A11LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024118818-A1 NSAID-DERIVED CONJUGATE COMPOUNDS FOR IMAGING Reiley Pharmaceuticals, Inc. (US) 2024-06-06 WO disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
EP-4244213-A1 COMPOUNDS AND USES THEREOF Foghorn Therapeutics Inc. (US) 2023-09-20 EP disclosed
WO-2023166303-A1 ACRYLAMIDE COMPOUNDS NRG THERAPEUTICS LTD (GB) 2023-09-07 WO disclosed
EP-4225384-A1 COXIB-DERIVED CONJUGATE COMPOUNDS AND METHODS OF USE THEREOF Reiley Pharmaceuticals, Inc. (US) 2023-08-16 EP disclosed
EP-4208442-A1 NOVEL COMPOUNDS NRG Therapeutics LTD (GB) 2023-07-12 EP disclosed
WO-2023076133-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-04 WO disclosed
WO-2022103899-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2022-05-19 WO disclosed
WO-2021240424-A1 INDAZOLE AND BENZOISOXAZOLE DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2021-12-02 WO disclosed
WO-2021070090-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 WO disclosed
WO-2021018118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 1 PROTEINS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 WO disclosed
EP-3661901-A1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS Eastman Chemical Company (US) 2020-06-10 EP disclosed
WO-2019027948-A1 SYNTHESIS OF GLYCOLS VIA TRANSFER HYDROGENATION OF ALPHA-FUNCTIONAL ESTERS WITH ALCOHOLS EASTMAN CHEMICAL COMPANY (US) 2019-02-07 WO disclosed
WO-2010054102-A2 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed
EP-1850681-A2 COMPOUNDS COMPRISING LINKED HETERO ARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS Senomyx, Inc. (US) 2007-11-07 EP disclosed
WO-2006084186-A2 COMPOUNDS COMPRISING LINKED HETERO ARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS SENOMYX, INC. (US) 2006-08-10 WO disclosed
EP-1659881-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF Senomyx Inc. (US) 2006-05-31 EP disclosed
WO-2005041684-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC. (US) 2005-05-12 WO disclosed
US-6004955-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-12-21 US disclosed