SCHEMBL9854345

SCHEMBL9854345

C=CC(=O)OC(C)COc1ccc(OCC(C)OC(=O)C=C)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
THRB P10828 3/20 0.42
ACACB O00763 3/20 0.42
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2D6 P10635 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ACACA Q13085 1/20 0.37

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
SCHEMBL14173246 0.95 ACACB (0.43) TSHRTHRBACACBLMNAPOLB
SCHEMBL14173248 0.95 ACACB (0.43) TSHRTHRBACACBLMNAPOLB
SCHEMBL13554408 0.95 MAPT (0.43) TSHRTHRBACACBLMNAPOLB
SCHEMBL22588946 0.94 HPGD (0.42) TSHRTHRBACACBMAPTHTT
SCHEMBL28432324 0.94 PTGS1 (0.43) TSHRTHRBACACBLMNAGAA
SCHEMBL6986550 0.92 THRB (0.38) TSHRTHRBACACBLMNAPOLB
SCHEMBL28574458 0.92 TDP1 (0.43) TSHRTHRBACACBLMNAPOLB
SCHEMBL4200257 0.92 THRB (0.44) TSHRTHRBACACBLMNAPOLB
SCHEMBL181492 0.92 THRB (0.54) TSHRTHRBLMNAMAPTCYP2D6
SCHEMBL28440337 0.91 THRB (0.37) TSHRTHRBACACBLMNAPOLB

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
EP-0411839-A2 Image forming medium and image forming method CANON KABUSHIKI KAISHA (JP) 1991-02-06 EP disclosed