SCHEMBL1768973

SCHEMBL1768973

CCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(C(=O)O)(C(=O)O)C1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 6/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALOX15 P16050 2/20 0.32
TP53 P04637 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL1892399 0.92 HMGCR (0.34) HMGCRKMT2AMEN1ALDH1A1KDM4E
SCHEMBL697946 0.82 HMGCR (0.36) HMGCRKMT2AMEN1ALDH1A1KDM4E
SCHEMBL2546589 0.80 HMGCR (0.35) HMGCRKMT2AMEN1ALDH1A1KDM4E
SCHEMBL2687906 0.78 CACNA1A (0.34) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL6047482 0.78 HMGCR (0.36) HMGCRKMT2AMEN1GAAHTT
SCHEMBL28556085 0.77 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL1263508 0.76 HMGCR (0.35) HMGCRKMT2AMEN1ALDH1A1KDM4E
SCHEMBL224188 0.76 HMGCR (0.37) HMGCRKMT2AMEN1ALDH1A1KDM4E
SCHEMBL5072803 0.76 ALDH1A1 (0.36) HMGCRKMT2AMEN1ALDH1A1KDM4E
SCHEMBL314423 0.75 HIF1A (0.43) HMGCRKMT2AMEN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111511558-A Multilayer body 帝人株式会社 2020-08-07 CN disclosed
EP-3684833-A1 METHOD FOR PRODUCING POLYISOCYANATES OF (CYCLO)ALIPHATIC DIISOCYANATES WHICH ARE FLOCCULATION-STABLE IN SOLVENTS BASF SE (DE) 2020-07-29 EP disclosed
EP-3684835-A1 COLOUR-STABLE CURING COMPOSITIONS CONTAINING POLYISOCYANATE (CYCLO)ALIPHATIC DIISOCYANATES BASF SE (DE) 2020-07-29 EP disclosed
EP-3662026-A1 COATING COMPOSITION FOR SEALING SURFACES Wacker Chemie AG (DE) 2020-06-10 EP disclosed
EP-3655456-A1 COLOUR-STABLE CURING COMPOSITIONS CONTAINING POLYISOCYANATE (CYCLO)ALIPHATIC DIISOCYANATES BASF SE (DE) 2020-05-27 EP disclosed
EP-2900774-B1 RADIATION CURABLE INK COMPOSITION 3M INNOVATIVE PROPERTIES CO (US) 2019-10-23 EP disclosed
EP-3523347-A1 COLOUR-STABLE CURING COMPOSITIONS CONTAINING POLYISOCYANATES OF (CYCLO)ALIPHATIC DIISOCYANATES BASF SE (DE) 2019-08-14 EP disclosed
WO-2019057540-A1 METHOD FOR PRODUCING POLYISOCYANATES OF (CYCLO)ALIPHATIC DIISOCYANATES WHICH ARE FLOCCULATION-STABLE IN SOLVENTS BASF SE (DE) 2019-03-28 WO disclosed
WO-2019057539-A1 COLOUR-STABLE CURING COMPOSITIONS CONTAINING POLYISOCYANATE (CYCLO)ALIPHATIC DIISOCYANATES BASF SE (DE) 2019-03-28 WO disclosed
WO-2019016097-A1 COLOUR-STABLE CURING COMPOSITIONS CONTAINING POLYISOCYANATE (CYCLO)ALIPHATIC DIISOCYANATES BASF SE (DE) 2019-01-24 WO disclosed
EP-2900774-A1 RADIATION CURABLE INK COMPOSITION 3M Innovative Properties Company (US) 2015-08-05 EP disclosed
WO-2015032635-A1 USE OF PRESSURE-SENSITIVE ADHESIVE TAPES FOR OPTICAL APPLICATIONS TESA SE (DE) 2015-03-12 WO disclosed
WO-2015028513-A1 ANTIMICROBIAL COATINGS BASF SE (DE) 2015-03-05 WO disclosed
EP-2504372-A1 CATALYSTS FOR POLYURETHANE COATING COMPOUNDS BASF SE (DE) 2012-10-03 EP disclosed
WO-2011061314-A1 CATALYSTS FOR POLYURETHANE COATING COMPOUNDS BASF SE (DE) 2011-05-26 WO disclosed
US-7820275-B2 Photocurable composition for producing cured articles having high clarity and improved mechanical properties HUNTSMAN ADVANCED MATERIALS AMERICAS LLC (US) 2010-10-26 US disclosed
WO-2008116893-A1 CURING COMPOSITIONS BASF SE (DE) 2008-10-02 WO disclosed
WO-2008116895-A1 CURING COMPOSITIONS BASF SE (DE) 2008-10-02 WO disclosed
US-20080182078-A1 Photocurable Composition For Producing Cured Articles Having High Clarity And Improved Mechanical Properties HUNTSMAN ADVANCED MATERIALS AMERICAS INC. (US) 2008-07-31 US disclosed
EP-1449872-A1 Stabilisation of polymeric materials CLARIANT INTERNATIONAL LTD. (CH) 2004-08-25 EP disclosed