SCHEMBL6575475

SCHEMBL6575475

COC(=O)c1ccc(OC(=O)Oc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC1 Q13547 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
NPC1 O15118 1/20 0.47
EPHX2 P34913 1/20 0.47
HAO1 Q9UJM8 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
DEGS1 O15121 1/20 0.45

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
SCHEMBL1790000 0.89 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL2949436 0.89 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL2944396 0.89 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL15214828 0.89 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL15214834 0.89 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL15214837 0.89 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL21656950 0.88 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL21656481 0.88 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL16684739 0.88 HDAC8 (0.61) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6
SCHEMBL21656846 0.87 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTHDAC8HDAC6

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-1412411-A2 PROCESS FOR PREPARING POLYCARBONATE AND APPARATUS FOR PREPARING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2004-04-28 EP disclosed
WO-2003008481-A2 PROCESS FOR PREPARING POLYCARBONATE AND APPARATUS FOR PREPARING POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2003-01-30 WO disclosed