SCHEMBL6378252

SCHEMBL6378252

Cc1cc(OCCCC(=O)NCCCOCCOCCOCCCNC(=O)OCc2ccccc2)cc(C)c1S(=O)(=O)NC(C(=O)O)C(C)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.40
MMP2 P08253 4/20 0.40
MMP9 P14780 4/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL4957686 0.89 MMP2 (0.46) SMN1; SMN2L3MBTL1MAPTLMNAMMP2
SCHEMBL2274363 0.87 L3MBTL1 (0.40) SMN1; SMN2L3MBTL1MAPTLMNAMMP2
SCHEMBL14271452 0.87 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1MAPTLMNAMMP2
SCHEMBL4653743 0.87 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1MAPTLMNAMMP2
SCHEMBL4955666 0.84 MMP2 (0.42) SMN1; SMN2L3MBTL1MAPTMMP2MMP9
SCHEMBL4960020 0.83 MMP2 (0.47) L3MBTL1MAPTMMP2MMP9HDAC3
SCHEMBL19809645 0.83 MMP2 (0.47) L3MBTL1MAPTMMP2MMP9HDAC3
SCHEMBL6378260 0.82 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1MAPTLMNAMMP2
SCHEMBL4654777 0.82 MAPT (0.40) SMN1; SMN2L3MBTL1MAPTLMNAMMP2
SCHEMBL14271433 0.82 MAPT (0.40) SMN1; SMN2L3MBTL1MAPTLMNAMMP2

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-6838074-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-04 US disclosed