SCHEMBL1152046

SCHEMBL1152046

C=CC(=O)OC(C)COC(=O)C1CCC(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
RAB9A P51151 1/20 0.31
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 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
SCHEMBL21966162 0.96 TSHR (0.41) TSHRADRB2ADRB1ADRB3RAB9A
SCHEMBL1151694 0.87 TSHR (0.40) TSHRADRB2ADRB1ADRB3RAB9A
SCHEMBL19845023 0.86 TSHR (0.35) TSHR
SCHEMBL21966160 0.85 TSHR (0.47) TSHRRAB9A
SCHEMBL23675567 0.81 TSHR (0.43) TSHR
SCHEMBL1151516 0.81 TSHR (0.41) TSHRRAB9A
SCHEMBL24196575 0.80 ELANE (0.41) TSHRRAB9AMAPT
SCHEMBL19845025 0.80 TSHR (0.40) TSHR
SCHEMBL1297949 0.80 RAB9A (0.45) TSHRADRB2ADRB1ADRB3RAB9A
SCHEMBL691186 0.79 TSHR (0.46) TSHRADRB2ADRB1ADRB3RAB9A

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