SCHEMBL28420331

SCHEMBL28420331

CCCCCCCCO[PH](C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.41
CA2 P00918 8/20 0.41
CA9 Q16790 7/20 0.41
LPAR3 Q9UBY5 3/20 0.41
CA12 O43570 3/20 0.41
CA7 P43166 3/20 0.41
CA14 Q9ULX7 3/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
NAAA Q02083 1/20 0.41
TSHR P16473 2/20 0.40
RECQL P46063 2/20 0.40
CES2 O00748 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL19570539 1.00 CA1 (0.41) CA1CA2CA9LPAR3CA12
SCHEMBL11695198 1.00 CA1 (0.41) CA1CA2CA9LPAR3CA12
SCHEMBL27532384 1.00 CA1 (0.41) CA1CA2CA9LPAR3CA12
SCHEMBL27509322 1.00 CA1 (0.41) CA1CA2CA9LPAR3CA12
SCHEMBL27532378 1.00 CA1 (0.41) CA1CA2CA9LPAR3CA12
SCHEMBL28102799 0.98 CA1 (0.40) CA1CA2CA9LPAR3CA12
SCHEMBL17626592 0.97
SCHEMBL28714193 0.95 CA1 (0.39) CA1CA2CA9LPAR3CA12
SCHEMBL1711468 0.90
SCHEMBL11335027 0.89

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-111201197-A Aluminum phosphites and compositions comprising aluminum phosphites 太平化学产业株式会社 2020-05-26 CN disclosed