SCHEMBL11528211

SCHEMBL11528211

CCN(CC)CCOc1c(C)cc(C(=O)CC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1C.Cc1cc(C(=O)CC(c2ccccc2)c2ccccc2)cc(C)c1OCCN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
KDM4E B2RXH2 1/20 0.40
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARA Q07869 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL11529632 0.88 LMNA (0.50) KMT2ALMNACYP1A2CYP2D6KDM4E
Hydrochloric Acid SCHEMBL11528321 0.87 ALDH1A1 (0.51) KMT2ALMNACYP1A2CYP2D6KDM4E
SCHEMBL11530069 0.84 PPARA (0.48) KMT2AMEN1ATMLMNACYP1A2
Hydrochloric Acid SCHEMBL11533364 0.83 CYP3A4 (0.48) KMT2AMEN1ATMLMNACYP1A2
SCHEMBL11529384 0.82 THRA (0.47) KMT2AMEN1ATMLMNACYP1A2
Hydrochloric Acid SCHEMBL11529358 0.81 THRA (0.46) KMT2AMEN1ATMLMNACYP1A2
SCHEMBL11533260 0.80 THRA (0.49) KMT2AMEN1ATMLMNACYP1A2
Hydrochloric Acid SCHEMBL11525641 0.79 THRA (0.48) KMT2AMEN1ATMLMNACYP1A2
SCHEMBL11525521 0.77 THRA (0.50) KMT2AMEN1ATMLMNACYP1A2
SCHEMBL11525834 0.75 LMNA (0.48) KMT2ALMNACYP1A2CYP2D6KDM4E

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
US-4140770-A Benzoylethers and processes for their production A. NATTERMANN & CIE. GMBH (DE) 1979-02-20 US disclosed