SCHEMBL18585709

SCHEMBL18585709

O=C(O)C(O)CC(O)C(O)C(O)C(O)C(O)C(O)CO

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.58
TDP1 Q9NUW8 1/20 0.55
USP2 O75604 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
LMNA P02545 2/20 0.50
OR51E2 Q9H255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TET2 Q6N021 5/20 0.34
KDM4A O75164 2/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM2A Q9Y2K7 2/20 0.34
TET3 O43151 1/20 0.34

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
SCHEMBL18585300 1.00 PDE4A (0.58) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL5703642 0.98 PDE4A (0.60) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL2256434 0.93 PDE4A (0.54) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL14643178 0.83 OR51E2 (0.57) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL3776284 0.83 OR51E2 (0.57) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL6839428 0.83 OR51E2 (0.57) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL640339 0.83 OR51E2 (0.57) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL6838462 0.83 OR51E2 (0.57) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL13062508 0.83 OR51E2 (0.57) PDE4ATDP1USP2SLCO1B1LMNA
SCHEMBL13015306 0.83 OR51E2 (0.57) PDE4ATDP1USP2SLCO1B1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180243309-A1 TOPICAL ANTIVIRAL COMPOSITIONS TOPICAL REMEDY LLC (US) 2018-08-30 US disclosed
EP-3344265-A1 TOPICAL ANTIVIRAL COMPOSITIONS Topical Remedy, LLC (US) 2018-07-11 EP disclosed
WO-2017040844-A1 TOPICAL ANTIVIRAL COMPOSITIONS TOPICAL REMEDY, LLC (US) 2017-03-09 WO disclosed