SCHEMBL896674

SCHEMBL896674

CC(=O)OC(C)COC(C)COC(C)COc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.53
MTNR1B P49286 5/20 0.53
LMNA P02545 1/20 0.50
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.45
MAOA P21397 1/20 0.42
PTGS1 P23219 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP2D6 P10635 1/20 0.42
ADRB3 P13945 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL896831 1.00 MTNR1A (0.53) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL578331 0.94 MTNR1A (0.58) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL9713332 0.88 MTNR1A (0.53) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL9713337 0.88 MTNR1A (0.53) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL1613767 0.87 MTNR1A (0.49) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL1614836 0.87 MTNR1A (0.49) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL1614325 0.87 MTNR1A (0.49) MTNR1AMTNR1BLMNAMAPTPOLB
Propylene Glycol SCHEMBL19641584 0.85 LMNA (0.56) MTNR1AMTNR1BLMNAMAPTPOLB
SCHEMBL6560466 0.85 LMNA (0.47) MTNR1AMTNR1BLMNAMAPTMAOA
SCHEMBL12971187 0.85 LMNA (0.47) MTNR1AMTNR1BLMNAMAPTPOLB

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-20120082791-A1 Coating Composition Amenable to Elastomeric Substrates LIVERSAGE ROBERT RICHARD (US) 2012-04-05 US disclosed
US-20090026425-A1 COMPOSITION COMPRISING POLYESTER AMIDE ACID AND THE LIKE AND INK-JET INK COMPOSITION USING THE SAME CHISSO CORPORATION (JP) 2009-01-29 US disclosed