SCHEMBL17211778

SCHEMBL17211778

CC(C)P(=O)(O)OCCOCCOCCOCCOP(=O)(O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
LAP3 P28838 6/20 0.33
ANPEP P15144 4/20 0.33
ERAP1 Q9NZ08 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LPAR3 Q9UBY5 5/20 0.31
LPAR1 Q92633 4/20 0.31
LPAR2 Q9HBW0 2/20 0.31
LPAR5 Q9H1C0 1/20 0.31

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
SCHEMBL12212661 1.00 CYP3A4 (0.40) CYP3A4TSHRLAP3ANPEPERAP1
SCHEMBL17211777 1.00 CYP3A4 (0.40) CYP3A4TSHRLAP3ANPEPERAP1
SCHEMBL12212674 1.00 CYP3A4 (0.40) CYP3A4TSHRLAP3ANPEPERAP1
SCHEMBL12236054 0.92 SAT1 (0.37) CYP3A4TSHRLAP3
SCHEMBL26031762 0.90 CYP3A4 (0.34) CYP3A4TSHRALDH1A1
SCHEMBL17211785 0.88 CYP3A4 (0.37) CYP3A4TSHRALDH1A1
SCHEMBL17032647 0.85 LPAR3 (0.52) CYP3A4TSHRMEN1KMT2ALPAR3
SCHEMBL17032640 0.85 LPAR3 (0.52) CYP3A4TSHRMEN1KMT2ALPAR3
SCHEMBL17032654 0.85 LPAR3 (0.52) CYP3A4TSHRMEN1KMT2ALPAR3
SCHEMBL17032662 0.85 LPAR3 (0.52) CYP3A4TSHRMEN1KMT2ALPAR3

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
EP-2558578-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF NUCLEIC ACIDS FUNCTION LIFE TECHNOLOGIES CORP (US) 2015-10-28 EP disclosed