SCHEMBL15399779

SCHEMBL15399779

O=C(O)CCCOc1cc(OCCCC(=O)O)cc(-c2c3nc(c(-c4cc(OCCCC(=O)O)cc(OCCCC(=O)O)c4)c4ccc([nH]4)c(-c4cc(OCCCC(=O)O)cc(OCCCC(=O)O)c4)c4nc(c(-c5cc(OCCCC(=O)O)cc(OCCCC(=O)O)c5)c5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.49
▸ CYCS P99999 4/20 0.48
▸ PDE3B Q13370 4/20 0.47
▸ PDE3A Q14432 4/20 0.47
▸ PDE2A O00408 3/20 0.47
▸ P2RY12 Q9H244 3/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ FFAR4 Q5NUL3 3/20 0.41
▸ FFAR1 O14842 2/20 0.41

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
SCHEMBL29831938 0.81 PPARG (0.51) PDE3BPDE3APDE2AP2RY12PPARG
SCHEMBL19718136 0.81 PPARG (0.51) PDE3BPDE3APDE2AP2RY12PPARG
SCHEMBL3554346 0.81 TOP1 (0.48) TOP1CYCSPDE3BPDE3APDE2A
SCHEMBL29831314 0.80 PPARG (0.52) CYCSPDE3BPDE3APDE2AP2RY12
SCHEMBL19718153 0.80 PPARG (0.52) CYCSPDE3BPDE3APDE2AP2RY12
SCHEMBL6850253 0.75 PDE3B (0.45) TOP1CYCSPDE3BPDE3AP2RY12
SCHEMBL6851842 0.75 PDE3B (0.45) TOP1CYCSPDE3BPDE3AP2RY12
SCHEMBL6847497 0.75 PDE3B (0.45) TOP1CYCSPDE3BPDE3AP2RY12
SCHEMBL6851379 0.75 PDE3B (0.45) TOP1CYCSPDE3BPDE3AP2RY12
SCHEMBL7614765 0.75 FABP4 (0.53) TOP1CYCSPDE3BPDE3APDE2A

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-9555132-B2 Water-soluble nanoparticles THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-01-31 — — US disclosed
US-20140004048-A1 WATER-SOLUBLE NANOPARTICLES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2014-01-02 — — US disclosed
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