SCHEMBL12737262

SCHEMBL12737262

CCN(C)CC(O)COC(=O)C(C)(CC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)O)C(=O)O)CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC(C)(CC)C(=O)Oc1ccccc1)C(=O)Oc1ccccc1)C(=O)Oc1ccccc1)C(=O)Oc1ccccc1)C(=O)Oc1ccccc1)C(=O)Oc1ccccc1)C(=O)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ABCB1 P08183 2/20 0.32
BCHE P06276 1/20 0.32
CHRM2 P08172 1/20 0.32
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL12640339 0.80 LMNA (0.50) LMNAABCB1CHRM2POLBL3MBTL1
SCHEMBL12737272 0.79 CHRM2 (0.50) LMNABCHECHRM2POLBKDM4E
SCHEMBL14076813 0.78 LMNA (0.52) LMNAABCB1CHRM2POLBADRB2
SCHEMBL12737268 0.75 MGLL (0.36) MEN1KMT2A
SCHEMBL26499197 0.74 ELANE (0.43) ATML3MBTL1
SCHEMBL16687525 0.70 PPARA (0.36) BCHECHRM2KDM4EATML3MBTL1
SCHEMBL17515693 0.70 ELANE (0.47) LMNAPOLBL3MBTL1MEN1KMT2A
SCHEMBL12216016 0.70 LMNA (0.36) LMNAABCB1POLBADRB2ADRB1
SCHEMBL12890662 0.69 ELANE (0.46) ATML3MBTL1
SCHEMBL19397852 0.68 ELANE (0.47) ATML3MBTL1

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-20110089376-A1 DISPERSANT HAVING MULTIFUNCTIONAL HEAD AND PHOSPHOR PASTE COMPOSITION COMPRISING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-04-21 US disclosed