SCHEMBL5283288

SCHEMBL5283288

Cc1cccc(OC(C)Oc2ccc(C)cc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
LMNA P02545 1/20 0.42
AR P10275 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL542640 0.86 ACHE (0.58) ACHELMNAALDH1A1GAAL3MBTL1
SCHEMBL3466564 0.86 ACHE (0.43) ACHEALDH1A1L3MBTL1SMN1; SMN2TP53
SCHEMBL5291190 0.82 ACHE (0.50) ACHELMNAALDH1A1GAAL3MBTL1
SCHEMBL24086431 0.78 ACHE (0.59) ACHELMNAALDH1A1GAASMN1; SMN2
SCHEMBL12195197 0.77 ALDH1A1 (0.58) ACHELMNAARALDH1A1GAA
SCHEMBL5281813 0.75 ALDH1A1 (0.46) ACHELMNAALDH1A1GAAL3MBTL1
SCHEMBL10698533 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1MRGPRX4POLBKMT2A
SCHEMBL8064832 0.74 ALDH1A1 (0.43) ALDH1A1L3MBTL1MRGPRX4MEN1NPC1
SCHEMBL12006 0.74 LMNA (0.59) ACHELMNAALDH1A1GAASMN1; SMN2
SCHEMBL8280908 0.74 FFAR4 (0.43) ACHEALDH1A1GAAL3MBTL1SMN1; SMN2

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