SCHEMBL7107080

SCHEMBL7107080

CCCCCCCCCCCCCCCCCCOP(=O)(O)C(O)CN

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.56
LPAR2 Q9HBW0 6/20 0.56
LPAR1 Q92633 5/20 0.56
LPAR5 Q9H1C0 1/20 0.47
HTT P42858 1/20 0.46
DNM1 Q05193 1/20 0.42
PLA2G2D Q9UNK4 1/20 0.41
SMPD1 P17405 2/20 0.41
FDPS P14324 1/20 0.41
LAP3 P28838 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
SCHEMBL7184210 1.00 LPAR3 (0.56) LPAR3LPAR2LPAR1LPAR5HTT
SCHEMBL7551578 0.91 LPAR3 (0.59) LPAR3LPAR2LPAR1
SCHEMBL15323486 0.84 LPAR3 (0.53) LPAR3LPAR2LPAR1LPAR5HTT
SCHEMBL23001236 0.83 LPAR3 (0.56) LPAR3LPAR2LPAR1LPAR5HTT
SCHEMBL23001237 0.83 LPAR3 (0.56) LPAR3LPAR2LPAR1LPAR5HTT
SCHEMBL11884531 0.79 LPAR1 (0.66) LPAR3LPAR2LPAR1LPAR5HTT
SCHEMBL11111004 0.79 LPAR3 (0.60) LPAR3LPAR2LPAR1LPAR5FDPS
SCHEMBL17887099 0.78 LPAR3 (0.64) LPAR3LPAR2LPAR1LPAR5
SCHEMBL18708275 0.78 LPAR3 (0.64) LPAR3LPAR2LPAR1LPAR5
SCHEMBL29194068 0.78 LPAR3 (0.64) LPAR3LPAR2LPAR1LPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030083313-A1 Treatment of breast cancer with a liposome mixture comprising an antineoplastic alkylphospholipid and water- or lipid-soluble antiestrogen agents MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2003-05-01 US claimed
EP-1135193-B1 AGENTS PROVIDED FOR TREATING TUMORS, BASED ON LIPOSOMES, AND CONTAINING TAMOXIFEN MAX DELBRUECK CENTRUM (DE) 2002-10-30 EP claimed
US-20030083313-A1 Treatment of breast cancer with a liposome mixture comprising an antineoplastic alkylphospholipid and water- or lipid-soluble antiestrogen agents MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2003-05-01 US disclosed