SCHEMBL6744084

SCHEMBL6744084

CCCCCCCCCCCCCCCCCCCCOC(=O)P(=O)(OC)OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
EPHX1 P07099 1/20 0.48
TSHR P16473 3/20 0.47
LPAR3 Q9UBY5 3/20 0.47
LPAR1 Q92633 2/20 0.47
LPAR2 Q9HBW0 2/20 0.47
HCAR2 Q8TDS4 1/20 0.44
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 6/20 0.43

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
SCHEMBL6739911 1.00 NAAA (0.52) NAAAEPHX1TSHRLPAR3LPAR1
SCHEMBL6740544 1.00 NAAA (0.52) NAAAEPHX1TSHRLPAR3LPAR1
Butyl Dimethoxyphosphinecarboxylate Oxide SCHEMBL2240121 0.92 ALDH1A1 (0.50) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL2240465 0.84 HCAR2 (0.38) NAAATSHRLPAR3LPAR1LPAR2
SCHEMBL6739927 0.80 NAAA (0.47) NAAAEPHX1TSHRLPAR3LPAR1
SCHEMBL6741118 0.80 NAAA (0.47) NAAAEPHX1TSHRLPAR3LPAR1
SCHEMBL6734686 0.80 NAAA (0.47) NAAAEPHX1TSHRLPAR3LPAR1
SCHEMBL6739566 0.80 LPAR3 (0.55) NAAAEPHX1TSHRLPAR3LPAR1
SCHEMBL6734330 0.80 LPAR3 (0.55) NAAAEPHX1TSHRLPAR3LPAR1
SCHEMBL6733974 0.80 LPAR3 (0.55) NAAAEPHX1TSHRLPAR3LPAR1

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-6686462-B2 Antiviral compounds and methods of administration THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-02-03 US disclosed
WO-1998038202-A1 ANTIVIRAL PHOSPHONATE PRODRUGS OF NUCLEOSIDES AND NUCLEOSIDE ANALOGUES DANA-FARBER CANCER INSTITUTE (US) 1998-09-03 WO disclosed