SCHEMBL9705553

SCHEMBL9705553

COc1ccc(CCl)cc1OCCCCOc1cc(CCl)ccc1OC.ClCc1ccc(SCCCCCCSc2ccc(CCl)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AR P10275 1/20 0.39
CA2 P00918 1/20 0.39
PRSS1 P07477 2/20 0.39
SMPD1 P17405 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 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
SCHEMBL9172945 0.85 TTR (0.54) TTRALDH1A1CA2PRSS1
SCHEMBL9705942 0.79 TTR (0.58) TTRALDH1A1MAPTHPGDL3MBTL1
SCHEMBL8354809 0.78 PDE4A (0.52) TTRMAPTCA2LMNA
SCHEMBL15173216 0.78 TTR (0.50) TTRCA2PRSS1
SCHEMBL10854280 0.78 AR (0.51) ALDH1A1MAPTHPGDL3MBTL1AR
SCHEMBL9705598 0.77 HDAC3 (0.42) ALDH1A1CA2
SCHEMBL11331111 0.76 TTR (0.51) TTRCA2
SCHEMBL2818338 0.76 S1PR2 (0.54) TTRSMPD1
SCHEMBL9077595 0.75 TTR (0.57) TTRALDH1A1MAPTHPGDL3MBTL1
SCHEMBL185845 0.74 CA2 (0.68) TTRALDH1A1MAPTCA2

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-0228803-B1 IONENE ELASTOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-09-16 EP claimed