SCHEMBL1151694

SCHEMBL1151694

C=CC(=O)OC(C)COC(=O)C1CCCC(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ANPEP P15144 1/20 0.32
BTK Q06187 1/20 0.32
RAB9A P51151 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
SCHEMBL1152046 0.87 TSHR (0.44) TSHRADRB2ADRB1ADRB3RAB9A
SCHEMBL21966162 0.83 TSHR (0.41) TSHRADRB2ADRB1ADRB3RAB9A
SCHEMBL27646305 0.82 TSHR (0.62) TSHRANPEPBTKRAB9A
SCHEMBL1296579 0.82 RAB9A (0.44) TSHRADRB2ADRB1ADRB3ANPEP
SCHEMBL1151516 0.82 TSHR (0.41) TSHRRAB9A
Ethylene Glycol SCHEMBL1296722 0.78 RAB9A (0.41) TSHRADRB2ADRB1ADRB3ANPEP
SCHEMBL691186 0.78 TSHR (0.46) TSHRADRB2ADRB1ADRB3RAB9A
SCHEMBL27626347 0.76 ANPEP (0.33) TSHRANPEPBTK
SCHEMBL1169784 0.75 ADRB2 (0.44) TSHRADRB2ADRB1ADRB3RAB9A
SCHEMBL1613930 0.74 TSHR (0.37) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110033161-A1 RESIN COMPOSITION FOR PRODUCTION OF CLAD LAYER, RESIN FILM FOR PRODUCTION OF CLAD LAYER UTILIZING THE RESIN COMPOSITION, AND OPTICAL WAVEGUIDE AND OPTICAL MODULE EACH UTILIZING THE RESIN COMPOSITION OR THE RESIN FILM HITACHI CHEMICAL COMPANY, LTD. (JP) 2011-02-10 US disclosed