SCHEMBL27550641

SCHEMBL27550641

CCCC(C)=COP(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.35
FNTB P49356 2/20 0.35
LPAR3 Q9UBY5 5/20 0.33
LPAR1 Q92633 3/20 0.33
LPAR2 Q9HBW0 3/20 0.33
BTN3A1 O00481 3/20 0.32
PGGT1B P53609 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMPD1 P17405 3/20 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
SCHEMBL16344642 0.82 BTN3A1 (0.33) FNTAFNTBLPAR3LPAR1LPAR2
SCHEMBL17923874 0.80 FNTA (0.36) FNTAFNTBLPAR3LPAR1LPAR2
Pyrophosphoric Acid SCHEMBL3232913 0.74 FDPS (0.43) FNTAFNTBLPAR3LPAR1LPAR2
Pyrophosphoric Acid SCHEMBL3232915 0.74 FDPS (0.43) FNTAFNTBLPAR3LPAR1LPAR2
SCHEMBL28722816 0.74 FFAR3 (0.34) LPAR3LPAR1LPAR2ALDH1A1SMPD1
SCHEMBL17923877 0.72 LPAR3 (0.41) LPAR3LPAR1LPAR2SMPD1
SCHEMBL7770782 0.71 LPAR3 (0.44) LPAR3LPAR1LPAR2SMPD1
SCHEMBL28617033 0.71 BTN3A1 (0.30) BTN3A1
SCHEMBL8895565 0.71
SCHEMBL8013947 0.71 ALDH1A1 (0.33) ALDH1A1

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
CN-1285755-A Sterilization wrap, applications therefor, and method of sterilizing KIMBERLY CLARK CO (US) 2001-02-28 CN disclosed