SCHEMBL9004192

SCHEMBL9004192

N#CCCOC(COCC1CO1)COCC1CO1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 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
SCHEMBL10971673 0.84 TSHR (0.39) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL23544781 0.80 SMN1; SMN2 (0.43) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL6860401 0.80
SCHEMBL36444 0.78 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL22592522 0.78 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL17011976 0.78 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL23589455 0.78 TSHR (0.39) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL23544787 0.77 TSHR (0.65) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL10080567 0.76 ALDH1A1 (0.49) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL3422477 0.76 ALDH1A1 (0.46) TSHRALDH1A1SMN1; SMN2TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6267329-A None JP disclosed
JP-8236113-A None JP disclosed
JP-H08236113-A ELECTRODE FOR LITHIUM ION SECONDARY BATTERY AND COMPOSITION FOR MANUFACTURING SOLID ELECTROLYTE TOYAMA PREF GOV 1996-09-13 JP disclosed
JP-H06267329-A EPOXY MACROMOLECULAR SOLID ELECTROLYTE TOYAMA PREF GOV 1994-09-22 JP disclosed