SCHEMBL19625554

SCHEMBL19625554

C=CC(=O)OCC(O)CCc1ccc(C(c2ccc(OCC(O)COC(=O)C=C)cc2)c2ccc(OCC(O)COC(=O)C=C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
THRB P10828 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR1 P21453 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADRB2 P07550 6/20 0.39
ADRB3 P13945 6/20 0.39
ADRB1 P08588 4/20 0.39
MMP12 P39900 1/20 0.38

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
SCHEMBL14767584 0.90 MMP12 (0.44) CYP1A2THRBMEN1KMT2AS1PR1
SCHEMBL819519 0.90 CYP1A2 (0.48) CYP1A2THRBMEN1KMT2ALMNA
SCHEMBL22099830 0.85 HTT (0.45) CYP1A2THRBMEN1KMT2AS1PR1
SCHEMBL10630810 0.85 THRB (0.49) CYP1A2THRBMEN1KMT2AS1PR1
SCHEMBL17036960 0.84 THRB (0.51) CYP1A2THRBMEN1KMT2ALMNA
SCHEMBL9244574 0.83 THRB (0.61) CYP1A2THRBMEN1KMT2AS1PR1
SCHEMBL819190 0.82 CYP1A2 (0.48) CYP1A2THRBMEN1KMT2ALMNA
SCHEMBL2127664 0.82 CYP1A2 (0.48) CYP1A2THRBMEN1KMT2ALMNA
SCHEMBL24571175 0.80 POLB (0.48) CYP1A2THRBMEN1KMT2ALMNA
SCHEMBL13205122 0.80 CYP1A2 (0.49) CYP1A2THRBMEN1KMT2ALMNA

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-20170334166-A1 BARRIER LAMINATE, GAS BARRIER FILM, AND DEVICE EMPLOYING THE SAME FUJIFILM CORPORATION (JP) 2017-11-23 US disclosed
US-20170334166-A1 BARRIER LAMINATE, GAS BARRIER FILM, AND DEVICE EMPLOYING THE SAME FUJIFILM CORPORATION (JP) 2017-11-23 US disclosed