SCHEMBL94570

SCHEMBL94570

CCNC(=O)CCCC=CCC1C(OC(=O)CCC(=O)O)CC(O)C1C=CC(O)CCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.77
AKR1C3 P42330 1/20 0.77
PTGFR P43088 8/20 0.66
PTGER3 P43115 6/20 0.66
TBXA2R P21731 3/20 0.54
MGLL Q99685 1/20 0.54
CA2 P00918 1/20 0.51
PTGER1 P34995 4/20 0.51
PTGER4 P35408 3/20 0.51
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
PTGDR Q13258 1/20 0.49
SLCO2A1 Q92959 1/20 0.49

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
SCHEMBL12964800 1.00 ABCB11 (0.77) ABCB11AKR1C3PTGFRPTGER3TBXA2R
SCHEMBL4875027 0.98 ABCB11 (0.80) ABCB11AKR1C3PTGFRPTGER3TBXA2R
SCHEMBL13960684 0.94 ABCB11 (0.79) ABCB11AKR1C3PTGFRPTGER3TBXA2R
SCHEMBL13960682 0.92 ABCB11 (0.80) ABCB11AKR1C3PTGFRPTGER3TBXA2R
SCHEMBL13960683 0.90 ABCB11 (0.78) ABCB11AKR1C3PTGFRPTGER3TBXA2R
SCHEMBL19200057 0.90 ABCB11 (0.83) ABCB11AKR1C3PTGFRPTGER3TBXA2R
SCHEMBL10112583 0.89 ABCB11 (0.70) ABCB11AKR1C3PTGFRPTGER3TBXA2R
SCHEMBL13278024 0.89 ABCB11 (0.76) ABCB11AKR1C3PTGFRPTGER3TBXA2R
SCHEMBL13468604 0.89 ABCB11 (0.76) ABCB11AKR1C3PTGFRPTGER3TBXA2R
SCHEMBL15655151 0.89 ABCB11 (0.76) ABCB11AKR1C3PTGFRPTGER3TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114370-B1 NOVEL BIOMATERIALS FOR OCULAR DRUG DELIVERY AND A METHOD FOR MAKING AND USING SAME ALLERGAN INC (US) 2012-10-03 EP disclosed
EP-2425816-A2 A pharmaceutical composition for use in treating an ocular disease or condition and a method for producing the composition Allergan, Inc. (US) 2012-03-07 EP disclosed
EP-2114370-A2 NOVEL BIOMATERIALS FOR OCULAR DRUG DELIVERY AND A METHOD FOR MAKING AND USING SAME Allergan, Inc. (US) 2009-11-11 EP disclosed
WO-2008094659-A2 NOVEL BIOMATERIALS FOR OCULAR DRUG DELIVERY AND A METHOD FOR MAKING AND USING SAME ALLERGAN, INC. (US) 2008-08-07 WO disclosed
WO-2008094675-A2 NOVEL BIOMATERIALS AND METHODS FOR MAKING AND USING SAME PHOTOBIOMED CORPORATION (US) 2008-08-07 WO disclosed