SCHEMBL4332084

SCHEMBL4332084

CNC(C)CC=C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 1/20 0.33
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 1/20 0.32
KISS1R Q969F8 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 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
SCHEMBL1347235 0.81 ALDH1A1 (0.32) ALDH1A1CYP2C9
SCHEMBL896560 0.81 ALDH1A1 (0.32) ALDH1A1CYP2C9
SCHEMBL23252 0.78 GRIK1 (0.47) ALDH1A1GRIK1GRIK2
SCHEMBL236096 0.78 GRIK1 (0.35) ALDH1A1GRIK1GRIK2
SCHEMBL23250 0.78 GRIK1 (0.47) ALDH1A1GRIK1GRIK2
SCHEMBL3677570 0.77 SIGMAR1 (0.36) ALDH1A1
SCHEMBL150232 0.76 CD81 (0.35) ALDH1A1GRIK1GRIK2
SCHEMBL22946224 0.76
SCHEMBL27793 0.76 CD81 (0.35) ALDH1A1GRIK1GRIK2
Hydrochloric Acid SCHEMBL38657492 0.76 GRIK1 (0.46) ALDH1A1GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9171675-B2 Electrical storage device, lithium ion capacitor and negative electrode for lithium ion capacitor JSR CORPORATION (JP) 2015-10-27 US disclosed
US-20130286545-A1 ELECTRICAL STORAGE DEVICE, LITHIUM ION CAPACITOR AND NEGATIVE ELECTRODE FOR LITHIUM ION CAPACITOR JSR CORPORATION (JP) 2013-10-31 US disclosed
US-20090264551-A1 Photocurable fixture for orthopedic surgery background of the invention ALCARE CO., LTD. 2009-10-22 US disclosed
EP-1910436-B1 ANHYDROUS DISPERSION OF POLYURETHANE(METH)ACRYLATE PARTICLES IN A REACTIVE DILUENT FACHHOCHSCHULE GELSENKIRCHEN (DE) 2009-01-28 EP disclosed
EP-1910436-A1 ANHYDROUS DISPERSION OF POLYURETHANE(METH)ACRYLATE PARTICLES IN A REACTIVE DILUENT Fachhochschule Gelsenkirchen (DE) 2008-04-16 EP disclosed
WO-2007012412-A1 ANHYDROUS DISPERSION OF POLYURETHANE(METH)ACRYLATE PARTICLES IN A REACTIVE DILUENT FACHHOCHSCHULE GELSENKIRCHEN (DE) 2007-02-01 WO disclosed