SCHEMBL9538772

SCHEMBL9538772

N#CCCOCC1COCO1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK1 P28482 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
SCHEMBL6860401 0.87
SCHEMBL3371973 0.76 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL27888136 0.76 SMN1; SMN2 (0.49) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL23544787 0.76 TSHR (0.65) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL9975188 0.76 SMN1; SMN2 (0.57) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL16047312 0.74 TSHR (0.44) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL9936567 0.73 TSHR (0.55) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL23919095 0.73 TSHR (0.55) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL1665375 0.73 SMN1; SMN2 (0.75) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL3373683 0.71 TSHR (0.64) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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
JP-5032857-A None JP disclosed
JP-H0532857-A POLYACETAL RESIN COMPOSITION POLYPLASTICS CO 1993-02-09 JP disclosed