SCHEMBL5281813

SCHEMBL5281813

Cc1cccc(OC(C)Oc2ccc(C(C)C)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
ACHE P22303 2/20 0.46
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 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
SCHEMBL5291190 0.87 ACHE (0.50) ALDH1A1ACHELMNASMN1; SMN2GAA
SCHEMBL542640 0.87 ACHE (0.58) ALDH1A1ACHESLC6A2SLC6A4SLC6A3
SCHEMBL9886769 0.82 ALDH1A1 (0.68) ALDH1A1ACHESMN1; SMN2GAAHTT
SCHEMBL5284823 0.81 ACHE (0.41) ALDH1A1ACHESLC6A2SLC6A4SLC6A3
SCHEMBL5292439 0.81 NPC1 (0.42) ALDH1A1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL24086431 0.80 ACHE (0.59) ALDH1A1ACHESLC6A2SLC6A4SLC6A3
SCHEMBL5281805 0.78 DRD2 (0.55) SMN1; SMN2TDP1L3MBTL1ADRB2ADRB1
SCHEMBL12006 0.75 LMNA (0.59) ALDH1A1ACHESLC6A2SLC6A4SLC6A3
SCHEMBL5283288 0.75 ACHE (0.44) ALDH1A1ACHELMNASMN1; SMN2MRGPRX4
SCHEMBL16981249 0.74 ACHE (0.47) ALDH1A1ACHELMNASMN1; SMN2GAA

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
WO-2006138653-A9 THERMAL RECORDING MATERIALS AND METHODS OF MAKING AND USING THE SAME NASHUA CORP (US) 2007-03-01 WO disclosed
WO-2006138653-A1 THERMAL RECORDING MATERIALS AND METHODS OF MAKING AND USING THE SAME NASHUA CORPORATION (US) 2006-12-28 WO disclosed