SCHEMBL812809

SCHEMBL812809

CC1(C)CC(O)=C(c2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
PTGS2 P35354 4/20 0.39
LMNA P02545 3/20 0.38
P2RX7 Q99572 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGS1 P23219 2/20 0.37
PDE4B Q07343 1/20 0.37
WRN Q14191 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL17419605 0.78 PGR (0.40) ALDH1A1KMT2AMAPTPTGS2LMNA
SCHEMBL6993410 0.69 PTGS2 (0.56) ALDH1A1KMT2AMAPTPTGS2NPC1
SCHEMBL11028307 0.69 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL7259290 0.69 PTGS2 (0.53) ALDH1A1KMT2AMAPTPTGS2LMNA
SCHEMBL28990788 0.66 LMNA (0.44) ALDH1A1KMT2AMEN1MAPTLMNA
Phenol SCHEMBL19182592 0.64 LMNA (0.46) ALDH1A1KMT2ALMNAHPGDTSHR
SCHEMBL28610937 0.64 PTGS2 (0.44) KMT2AMAPTPTGS2P2RX7PTGS1
SCHEMBL4331066 0.64 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTLMNANPC1
SCHEMBL7261350 0.63 PTGS2 (0.46) ALDH1A1KMT2AMEN1MAPTPTGS2
SCHEMBL16158092 0.63 ACHE (0.43) ALDH1A1KMT2AMEN1MAPTPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2806741-B1 PHENYL-SUBSTITUTED KETOENOLS FOR CONTROLLING FISH PARASITES BAYER IP GMBH (DE) 2020-03-04 EP disclosed
EP-2406216-B1 HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS BAYER IP GMBH (DE) 2017-04-19 EP disclosed
EP-3153503-A1 INTERMEDIATES FOR HALOGENOALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS Bayer Intellectual Property GmbH (DE) 2017-04-12 EP disclosed
EP-2334175-B1 PHENYL-SUBSTITUTED BICYCLOOCTANE 1,3 DIONE DERIVATIVES BAYER IP GMBH (DE) 2017-03-01 EP disclosed
EP-1962599-B1 INSECTICIDE COMPOUNDS WITH IMPROVED EFFECT BAYER IP GMBH (DE) 2016-03-16 EP disclosed
EP-2635550-B1 PHENYL-SUBSTITUTED BICYCLOOCTANE-1,3-DIONE-DERIVATIVES BAYER IP GMBH (DE) 2016-01-27 EP disclosed
US-9212140-B2 (5s,8s)-3-(4′-chlor-3′-fluor-4-methlybiphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5] dec-3-en-2-one (compound A) for treatment BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-15 US disclosed
US-9101133-B2 Phenyl-substituted bicyclooctane-1,3-dione-derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-11 US disclosed
US-9089137-B2 Phenyl-substituted ketoenols for controlling fish parasites BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-28 US disclosed
US-9045390-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
EP-1056717-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS Bayer Aktiengesellschaft (DE) 2000-12-06 EP disclosed
US-6150304-A HERBICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
EP-0987246-A1 Derivatives of 2-arylcyclopentan-1,3-dion BAYER AG (DE) 2000-03-22 EP disclosed
EP-0966420-A1 2-ARYLCYCLOPENTAN-1,3-DIONES BAYER AG (DE) 1999-12-29 EP disclosed
WO-1999055673-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO ENOLS BAYER AKTIENGESELLSCHAFT (DE) 1999-11-04 WO disclosed
WO-1999048869-A1 ARYL PHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER AKTIENGESELLSCHAFT (DE) 1999-09-30 WO disclosed
WO-1999043649-A1 ARYLPHENYL-SUBSTITUTED CYCLIC KETO-ENOLS BAYER AKTIENGESELLSCHAFT (DE) 1999-09-02 WO disclosed
US-5840661-A HERBICIDES OR INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
WO-1998039281-A1 2-ARYLCYCLOPENTAN-1,3-DIONES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-11 WO disclosed
EP-0769001-A1 2-ARYL CYCLOPENTANE-1,3-DIONE DERIVATIVES BAYER AG (DE) 1997-04-23 EP disclosed