SCHEMBL482556

SCHEMBL482556

CCCCOC[CH]CCCCOC

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
LPAR1 Q92633 3/20 0.33
LPAR3 Q9UBY5 3/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LSS P48449 1/20 0.33

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
SCHEMBL8827838 0.92 TSHR (0.41) TSHRCYP3A4SMN1; SMN2HPGDLPAR1
SCHEMBL10817849 0.88 TSHR (0.38) TSHRCYP3A4SMN1; SMN2HPGDLSS
SCHEMBL8209749 0.86 MEN1 (0.42) TSHRCYP3A4LPAR1LPAR3LPAR2
SCHEMBL11877091 0.85 MEN1 (0.45) TSHRLPAR1LPAR3LPAR2LSS
SCHEMBL9122943 0.85 MEN1 (0.45) TSHRLPAR1LPAR3LPAR2LSS
SCHEMBL8379544 0.85 MEN1 (0.45) TSHRLPAR1LPAR3LPAR2LSS
SCHEMBL5949238 0.85 TSHR (0.41) TSHRLSS
SCHEMBL8378690 0.85 MEN1 (0.45) TSHRLPAR1LPAR3LPAR2LSS
SCHEMBL28203152 0.85 MEN1 (0.45) TSHRLPAR1LPAR3LPAR2LSS
SCHEMBL9771895 0.83 ALDH1A1 (0.30)

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-1772282-B1 OPTICAL RECORDING MATERIAL AND OPTICAL RECORDING MEDIUM ADEKA CORP (JP) 2012-02-01 EP disclosed