SCHEMBL15909107

SCHEMBL15909107

CCCN(C(=O)CCCCCCCCCCc1ccc(C(=O)OC(C)(C)C)cc1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
THRA P10827 10/20 0.36
THRB P10828 10/20 0.36
FAAH O00519 1/20 0.35
PTGS1 P23219 1/20 0.35
RXRA P19793 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33

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
SCHEMBL1743025 0.82 CYP4A11 (0.39) THRATHRBFAAHPTGS1RXRA
SCHEMBL18116191 0.76 HDAC1 (0.35)
SCHEMBL4090552 0.75 CA1 (0.43)
SCHEMBL3680728 0.74 THRA (0.50) THRATHRB
SCHEMBL558113 0.74 HDAC1 (0.38)
SCHEMBL557859 0.74 HDAC1 (0.38)
SCHEMBL557472 0.74 HDAC1 (0.38)
SCHEMBL557865 0.74 HDAC1 (0.38)
SCHEMBL4182737 0.73 KMT2A (0.31)
SCHEMBL4076440 0.72 ITGB3 (0.42) RXRANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796205-B2 Insulin derivative NOVO NORDISK A/S (DK) 2014-08-05 US disclosed