SCHEMBL5016595

SCHEMBL5016595

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.58
CES1 P23141 3/20 0.58
LMNA P02545 3/20 0.50
NAAA Q02083 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PAM P19021 2/20 0.46
DGKA P23743 1/20 0.46

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
SCHEMBL28496059 1.00 CES2 (0.58) CES2CES1LMNANAAAL3MBTL1
SCHEMBL2150014 1.00 CES2 (0.58) CES2CES1LMNANAAAL3MBTL1
SCHEMBL15071024 1.00 CES2 (0.58) CES2CES1LMNANAAAL3MBTL1
SCHEMBL5921881 1.00 CES2 (0.58) CES2CES1LMNANAAAL3MBTL1
SCHEMBL2149478 1.00 CES2 (0.58) CES2CES1LMNANAAAL3MBTL1
SCHEMBL5788530 1.00 CES2 (0.58) CES2CES1LMNANAAAL3MBTL1
SCHEMBL2149399 1.00 CES2 (0.58) CES2CES1LMNANAAAL3MBTL1
SCHEMBL3742624 1.00 CES2 (0.58) CES2CES1LMNANAAAL3MBTL1
SCHEMBL7156909 1.00 CES2 (0.58) CES2CES1LMNANAAAL3MBTL1
SCHEMBL3829000 1.00 CES2 (0.58) CES2CES1LMNANAAAL3MBTL1

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
US-20080102127-A1 HYBRID LIPID-POLYMER NANOPARTICULATE DELIVERY COMPOSITION ALPHARX INC. (CA) 2008-05-01 US disclosed
US-20050255133-A1 Topical composition for acne treatment ALPHARX INC. (CA) 2005-11-17 US disclosed