SCHEMBL8464417

SCHEMBL8464417

C(CCCOCC1CO1)CCOCCOCC1CO1

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.86
ALDH1A1 P00352 5/20 0.73
TDP1 Q9NUW8 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.65
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
SPHK2 Q9NRA0 6/20 0.35
SPHK1 Q9NYA1 5/20 0.35

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
SCHEMBL9258810 0.98 TSHR (0.90) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL28320782 0.95 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL262589 0.95 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL21834095 0.95 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL19410554 0.95 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL23668239 0.95 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL15215 0.95 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL20543294 0.95 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL262140 0.95 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL19410576 0.95 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1

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
US-5886088-A A BLENDS OF MOLDING MATERIAL COMPRISING AN EPOXY COMPOUND OR RESIN AND A POLYFUNCTIONAL CARBODIIMIDE COMPOUND TO IMPROVE THE MOIST HEAT RESISTANCE, FLUIDITY AND MECHANICAL STRENGTH KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-03-23 US disclosed
EP-0764692-A1 POLYETHYLENE TEREPHTHALATE RESIN COMPOSITION KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-03-26 EP disclosed