SCHEMBL8769028

SCHEMBL8769028

O=C(O)/C(O)=C(O)/C(O)=C(OO)/C(O)=C(O)/C(O)=C(\O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)C(O)CO

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.43
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL2135451 0.87 PDE4A (0.55) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL887710 0.87 PDE4A (0.55) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL288150 0.81 PDE4A (0.59) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL19952979 0.81 PDE4A (0.59) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL258100 0.81 PDE4A (0.59) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL29563836 0.81 PDE4A (0.59) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL19952978 0.81 PDE4A (0.59) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL3067831 0.81 PDE4A (0.59) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL3872092 0.70 PDE4A (0.50) PDE4ALMNATDP1USP2SLCO1B1
SCHEMBL9698714 0.70 PDE4A (0.59) PDE4ALMNATDP1USP2SLCO1B1

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
EP-0629602-B1 3,4-Dihydroxychalcone derivatives NIPPON HYPOX LAB INC (JP) 1997-09-10 EP disclosed
EP-0629602-A1 3,4-Dihydroxychalcone derivatives NIPPON HYPOX LABORATORIES INCORPORATED (JP) 1994-12-21 EP disclosed
US-5276058-A Antiinflammatory agents NIPPON HYPOX LABORATORIES INCORPORATED (JP) 1994-01-04 US disclosed