SCHEMBL8778602

SCHEMBL8778602

[CH2]CCCCOC(CC)CCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.48
LPAR1 Q92633 6/20 0.38
LPAR3 Q9UBY5 6/20 0.38
LPAR2 Q9HBW0 3/20 0.38
ALDH1A1 P00352 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
LPAR6 P43657 2/20 0.36
LPAR4 Q99677 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36
TLR2 O60603 2/20 0.35
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 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
SCHEMBL27759847 1.00 DNM1 (0.48) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL10498368 0.94 DNM1 (0.46) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL3817432 0.94 DNM1 (0.50) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL11478592 0.92 DNM1 (0.52) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL9118432 0.92 DNM1 (0.38) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL25258976 0.90 DNM1 (0.57) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL28360383 0.90 DNM1 (0.57) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL23017083 0.90 DNM1 (0.57) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL13292250 0.90 DNM1 (0.57) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL7156427 0.90 DNM1 (0.57) DNM1LPAR1LPAR3LPAR2ALDH1A1

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
EP-0574355-B1 Phosphinyloxy propanaminium inner salt derivatives CIBA GEIGY AG (CH) 1997-08-13 EP claimed
EP-0574355-A1 Phosphinyloxy propanaminium inner salt derivatives SANDOZ LTD. (CH) 1993-12-15 EP claimed