SCHEMBL13588362

SCHEMBL13588362

C=CC(=O)OCC(O)COc1ccc(C(C)(c2ccc(OCC(O)COC(=O)C=C)cc2)c2ccc(OCC(COC(=O)C=C)OC(=O)C=C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.45
MAPT P10636 4/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL25748830 0.97 AR (0.50) ARMAPTPOLBLMNANPSR1
SCHEMBL13588351 0.93 AR (0.53) ARMAPTPOLBLMNANPSR1
SCHEMBL13588373 0.93 AR (0.53) ARMAPTPOLBLMNANPSR1
SCHEMBL13588350 0.92 AR (0.51) ARMAPTPOLBLMNANPSR1
SCHEMBL13588370 0.92 MAPT (0.47) ARMAPTPOLBLMNANPSR1
SCHEMBL15803538 0.88 HTT (0.50) ARMAPTPOLBLMNANPSR1
SCHEMBL13588356 0.87 AR (0.58) ARPOLBHTTHIF1ASMN1; SMN2
SCHEMBL16317591 0.87 AR (0.51) ARMAPTPOLBLMNANPSR1
SCHEMBL13588366 0.85 AR (0.50) ARMAPTPOLBLMNANPSR1
SCHEMBL13079613 0.85 CYP1A2 (0.41) ARMAPTPOLBLMNANPSR1

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-20090297771-A1 BARRIER LAMINATE, GAS BARRIER FILM, DEVICE, AND METHOD FOR PRODUCING BARRIER LAMINATE FUJIFILM CORPORATION (JP) 2009-12-03 US disclosed
US-20090297771-A1 BARRIER LAMINATE, GAS BARRIER FILM, DEVICE, AND METHOD FOR PRODUCING BARRIER LAMINATE FUJIFILM CORPORATION (JP) 2009-12-03 US disclosed