SCHEMBL28087904

SCHEMBL28087904

O=C=P(c1ccccc1)(c1ccccc1)c1ccccc1.[RaH2]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CFTR P13569 1/20 0.37
ALDH1A1 P00352 5/20 0.36
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HTT P42858 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
ALPG P10696 1/20 0.36
ALOX12 P18054 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 3/20 0.35
ALOX15 P16050 1/20 0.34
USP2 O75604 1/20 0.34
ESR1 P03372 1/20 0.34
KMT2A Q03164 4/20 0.34

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
SCHEMBL564408 0.97 CA2 (0.43) CA2CA4CA5ACFTRALDH1A1
SCHEMBL3957389 0.94 CA2 (0.42) CA2CA4CA5ACFTRALDH1A1
SCHEMBL15397878 0.94 CA2 (0.42) CA2CA4CA5ACFTRALDH1A1
SCHEMBL29609286 0.94 CA2 (0.42) CA2CA4CA5ACFTRALDH1A1
Hydrochloric Acid SCHEMBL10713177 0.92 CA2 (0.40) CA2CA4CA5ACFTRALDH1A1
SCHEMBL10712482 0.87 CA2 (0.37) CA2CA4CA5ACFTRALDH1A1
Acetic Acid SCHEMBL19208997 0.85 KMT2A (0.41) CA2CA4CA5ACFTRALDH1A1
SCHEMBL15253683 0.77 RAB9A (0.43) ALDH1A1GAATDP1MAPTNPSR1
SCHEMBL10621620 0.77 MAPT (0.42) CA2CA4CA5ACFTRALDH1A1
SCHEMBL7435006 0.76 CA2 (0.40) CA2CA4CA5ACFTRALDH1A1

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-104529967-B The preparation method of ganoderol 北京大学深圳研究生院 2016-08-24 CN disclosed