SCHEMBL4890012

SCHEMBL4890012

CCCCCCOC(CC)CC1(CC)COC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.42
LPAR1 Q92633 6/20 0.34
LPAR3 Q9UBY5 6/20 0.34
LPAR2 Q9HBW0 3/20 0.34
ALDH1A1 P00352 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
LPAR6 P43657 2/20 0.32
LPAR4 Q99677 2/20 0.32
LPAR5 Q9H1C0 2/20 0.32
TLR2 O60603 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4561827 0.73 CTSK (0.33)
SCHEMBL10170232 0.73 CTSK (0.35) DNM1
SCHEMBL27662706 0.73 DNM1 (0.64) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL2872393 0.72 DNM1 (0.38) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL2623190 0.71 ALDH1A1 (0.42) LPAR1LPAR3LPAR2ALDH1A1LPAR6
SCHEMBL2902859 0.71 ALDH1A1 (0.42) LPAR1LPAR3LPAR2ALDH1A1LPAR6
SCHEMBL9933808 0.71 ALDH1A1 (0.42) LPAR1LPAR3LPAR2ALDH1A1LPAR6
SCHEMBL1130616 0.71 ALDH1A1 (0.42) LPAR1LPAR3LPAR2ALDH1A1LPAR6
SCHEMBL14256280 0.71 ALDH1A1 (0.42) LPAR1LPAR3LPAR2ALDH1A1LPAR6
SCHEMBL10071379 0.71 ALDH1A1 (0.42) LPAR1LPAR3LPAR2ALDH1A1LPAR6

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
US-20080044149-A1 Polymerizable Composition TOYO INK MFG. CO., LTD. (JP) 2008-02-21 US disclosed