SCHEMBL8030464

SCHEMBL8030464

CN(C(=O)CN(C(=O)CNC(=O)OC(C)(C)C)c1ccccc1O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
PPIB P23284 1/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
AKT1 P31749 2/20 0.37
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
IDO1 P14902 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC1 Q13547 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
POLQ O75417 1/20 0.34
KDM4A O75164 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
SCHEMBL8036358 0.85 KMT2A (0.45) SIGMAR1PPIBNPSR1
SCHEMBL8033757 0.84 KMT2A (0.40) SIGMAR1PPIBCTSLCTSBCTSS
SCHEMBL5447593 0.83 PPIB (0.50) SIGMAR1PPIBCTSLCTSBCTSS
SCHEMBL8031941 0.81 KMT2A (0.41) NPSR1
SCHEMBL8031929 0.81 NOTUM (0.42) PPIBNPSR1
SCHEMBL8020820 0.79 KMT2A (0.40) NPSR1
SCHEMBL8030575 0.79 KMT2A (0.41) PPIBNPSR1
SCHEMBL8030544 0.79 KMT2A (0.41) PPIBNPSR1
SCHEMBL8031935 0.79 KMT2A (0.40) CTSBCTSSNPSR1
SCHEMBL8032079 0.78 KMT2A (0.42) NPSR1

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
EP-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
CN-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 CN disclosed