SCHEMBL30800712

SCHEMBL30800712

CCCCCCCCCCCOC(CC)CCCCCCCC(Cl)CCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 11)

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 5/20 0.35

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
SCHEMBL25258976 0.90 DNM1 (0.57) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL13292250 0.90 DNM1 (0.57) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL28360383 0.90 DNM1 (0.57) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL23017083 0.90 DNM1 (0.57) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL7156427 0.90 DNM1 (0.57) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL8663554 0.88 DNM1 (0.54) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL28429637 0.84 DNM1 (0.48) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL14380793 0.84 DNM1 (0.54) DNM1LPAR1LPAR3LPAR2ALDH1A1
SCHEMBL16339184 0.82 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2
SCHEMBL11189857 0.82 DNM1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117680116-A Solid-phase microextraction probe for highly selectively enriching perfluoro, polyfluoroalkyl sulfonic acid and substitutes thereof, and preparation method and application thereof 广东工业大学 2024-03-12 CN disclosed