SCHEMBL9577911

SCHEMBL9577911

CCC(C)(C)C(C(C)=O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL8668420 0.87 CHRM1 (0.36) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL27574337 0.81 CA2 (0.32) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL4612545 0.79 HMGCR (0.32) CHRM1ADRA1AALDH1A1
SCHEMBL9574574 0.79 CHRM1 (0.31) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6400918 0.77 FFAR3 (0.32) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL6441211 0.76 ALDH1A1 (0.37) TDP1ALDH1A1MAPT
SCHEMBL7212483 0.76 CA1 (0.38) CA2
SCHEMBL22539903 0.76
SCHEMBL52090 0.74 ALDH1A1 (0.35) ALDH1A1MAPTPTGS1
SCHEMBL19072838 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376859-B1 METHOD FOR FUNCTIONALIZATION OF NUCLEOPHILES EASTMAN KODAK COMPANY (US) 1993-03-31 EP claimed
EP-2852282-B1 METHODS FOR RENDERING MICELLAR COORDINATION COMPLEXES SAFE FOR THE TREATMENT OF PLANTS AND FORMULATIONS FOR SAME INNOVATION HAMMER LLC (US) 2019-04-24 EP disclosed
US-9828299-B2 Methods for rendering micellar coordination complexes safe for the treatment of plants and formulations for same INNOVATION HAMMER, LLC (US) 2017-11-28 US disclosed
US-20150133298-A1 Methods For Rendering Micellar Coordination Complexes Safe For The Treatment Of Plants And Formulations For Same INNOVATION HAMMER, LLC 2015-05-14 US disclosed
EP-2852282-A2 METHODS FOR RENDERING MICELLAR COORDINATION COMPLEXES SAFE FOR THE TREATMENT OF PLANTS AND FORMULATIONS FOR SAME Innovation Hammer LLC (US) 2015-04-01 EP disclosed
WO-2013176731-A2 METHODS FOR RENDERING MICELLAR COORDINATION COMPLEXES SAFE FOR THE TREATMENT OF PLANTS AND FORMULATIONS FOR SAME NONOMURA ARTHUR M (US) 2013-11-28 WO disclosed
US-4939247-A Gamma-lactone derivatives and process of preparing same ITARO HORIUCHI & CO., LTD. (JP) 1990-07-03 US disclosed
US-4874551-A δ-lactone derivatives and process of preparing same ITARO HORIUCHI & CO., LTD (JP) 1989-10-17 US disclosed