SCHEMBL3665693

SCHEMBL3665693

O=C(O)CC(CCl)n1cc(O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCL1 Q07820 2/20 0.36
RECQL P46063 1/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
PTPN1 P18031 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
GLA P06280 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
SCHEMBL4261038 0.87 ALDH1A1 (0.37) ALDH1A1HSD17B10USP2POLBKDM4E
SCHEMBL285391 0.81 KDM4E (0.41) ALDH1A1HSD17B10USP2POLBKDM4E
SCHEMBL4212531 0.80 ALDH1A1 (0.43) ALDH1A1HSD17B10KDM4E
SCHEMBL284847 0.80 ALDH1A1 (0.42) ALDH1A1HSD17B10USP2POLBKDM4E
SCHEMBL4212828 0.79 MCL1 (0.50) ALDH1A1HSD17B10USP2POLBKDM4E
SCHEMBL3665524 0.79 KDM4E (0.39) ALDH1A1HSD17B10USP2POLBKDM4E
SCHEMBL16862611 0.79 CDC25A (0.44) ALDH1A1HSD17B10KDM4E
SCHEMBL16862682 0.79 CDC25A (0.44) ALDH1A1HSD17B10KDM4E
SCHEMBL3657865 0.78 ALDH1A1 (0.40) ALDH1A1HSD17B10USP2POLBKDM4E
SCHEMBL3665611 0.78 ALDH1A1 (0.40) ALDH1A1HSD17B10USP2POLBKDM4E

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-2235202-A2 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE Biomérieux (FR) 2010-10-06 EP disclosed
WO-2009092982-A2 METHOD FOR DETECTING AND/OR IDENTIFYING CLOSTRIDIUM DIFFICILE bioMérieux (FR) 2009-07-30 WO disclosed