SCHEMBL3901706

SCHEMBL3901706

C=C(C)C(=O)CCC(O)Oc1ccccc1C(C)(C)c1ccccc1OC(O)CCC(=O)C(=C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 3/20 0.34
RBP4 P02753 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
MAPT P10636 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
HTT P42858 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
SCHEMBL4458912 0.83 TDP1 (0.36) ATMTDP1PPARGNPSR1ALDH1A1
SCHEMBL7753552 0.79 KDM4E (0.45) ATMTDP1RBP4NPSR1ALDH1A1
SCHEMBL17022747 0.75 HTT (0.37) TDP1ALDH1A1KDM4EGAAHTT
SCHEMBL8827188 0.75 MAPT (0.37) ATMTDP1PPARGALDH1A1KDM4E
SCHEMBL7753556 0.74 KMT2A (0.41) ATMTDP1PPARGNPSR1ALDH1A1
SCHEMBL27230002 0.73 ALDH1A1 (0.40) ATMTDP1RBP4NPSR1ALDH1A1
SCHEMBL4649149 0.72 ATM (0.40) ATMTDP1PPARGALDH1A1KDM4E
SCHEMBL29376230 0.71 TDP1 (0.55) ATMTDP1NPSR1ALDH1A1KDM4E
SCHEMBL66178 0.71 TDP1 (0.55) ATMTDP1NPSR1ALDH1A1KDM4E
Ethylene SCHEMBL11046108 0.70 TDP1 (0.54) ATMTDP1NPSR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6837712-B2 Dental restorative compositions KERR CORPORATION (US) 2005-01-04 US claimed
EP-1393705-A1 Dental restorative compounds Kerr Corporation (US) 2004-03-03 EP claimed
US-20040039079-A1 Dental restorative compositions KERR CORPORATION 2004-02-26 US claimed
EP-1393705-B9 Dental restorative compounds KERR CORP (US) 2009-12-16 EP disclosed
EP-1393705-B1 Dental restorative compounds KERR CORP (US) 2009-02-25 EP disclosed
US-6837712-B2 Dental restorative compositions KERR CORPORATION (US) 2005-01-04 US disclosed
EP-1393705-A1 Dental restorative compounds Kerr Corporation (US) 2004-03-03 EP disclosed
US-20040039079-A1 Dental restorative compositions KERR CORPORATION 2004-02-26 US disclosed