SCHEMBL16433698

SCHEMBL16433698

OCC(O)COCCCCCCOCC1CO1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
USP2 O75604 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.38
LPAR5 Q9H1C0 1/20 0.36
SPHK2 Q9NRA0 5/20 0.35
SPHK1 Q9NYA1 5/20 0.35
MAPK1 P28482 1/20 0.34
PLA2G2C Q5R387 1/20 0.34

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
SCHEMBL18784033 0.98 TSHR (0.62) TSHRALDH1A1TDP1USP2SMN1; SMN2
SCHEMBL4282114 0.91 TSHR (0.50) TSHRALDH1A1TDP1USP2SMN1; SMN2
SCHEMBL31050788 0.87 USP2 (0.54) TSHRALDH1A1TDP1USP2SMN1; SMN2
SCHEMBL40586 0.86 TSHR (0.45) TSHRALDH1A1TDP1USP2SMN1; SMN2
SCHEMBL16134389 0.84 TSHR (0.43) TSHRALDH1A1TDP1USP2SMN1; SMN2
SCHEMBL27870592 0.84 TSHR (0.43) TSHRALDH1A1TDP1USP2SMN1; SMN2
Methane SCHEMBL28850574 0.84 TSHR (0.43) TSHRALDH1A1TDP1USP2SMN1; SMN2
Glycerin SCHEMBL8428081 0.84 ALDH1A1 (0.75) TSHRALDH1A1TDP1USP2SMN1; SMN2
SCHEMBL23095062 0.84 TSHR (0.45) TSHRALDH1A1TDP1USP2SMN1; SMN2
SCHEMBL19415760 0.83 TSHR (0.60) TSHRALDH1A1TDP1USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2832759-B1 EPOXY RESIN, METHOD FOR PRODUCING EPOXY RESIN, EPOXY RESIN COMPOSITION, CURED PRODUCT THEREOF, AND HEAT-DISSIPATING RESIN MATERIAL DAINIPPON INK & CHEMICALS (JP) 2017-03-15 EP disclosed
EP-2832759-A1 EPOXY RESIN, METHOD FOR PRODUCING EPOXY RESIN, EPOXY RESIN COMPOSITION, CURED PRODUCT THEREOF, AND HEAT-DISSIPATING RESIN MATERIAL DIC Corporation (JP) 2015-02-04 EP disclosed