SCHEMBL16250620

SCHEMBL16250620

COc1cccc(C)c1C(=O)P(CC(=O)O)C(=O)c1c(OC)cccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PPARA Q07869 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL691920 0.92 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL28735754 0.78 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL1035839 0.78 TSHR (0.48) CA12CA1CA2CA7CA9
SCHEMBL14272588 0.76 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL426616 0.76 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL1037229 0.73 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL8261359 0.72 CA9 (0.59) CA12CA1CA2CA7CA9
Benzene SCHEMBL28834320 0.72 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL9170480 0.72 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL15125784 0.71 CA12 (0.58) CA12CA1CA2CA7CA9

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
EP-2421903-B1 POLYMER NANOPARTICLES ETH ZUERICH (CH) 2014-11-19 EP disclosed