SCHEMBL9620532

SCHEMBL9620532

COc1cc(-n2nc3ccc(OCCCO)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACSS2 Q9NR19 1/20 0.35
MAPT P10636 4/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 2/20 0.34
RXFP1 Q9HBX9 1/20 0.33
PDE2A O00408 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
FGFR1 P11362 1/20 0.33
SRC P12931 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NR1I2 O75469 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL8441278 0.96 CA1 (0.39) CA1CA2ACSS2MAPTLMNA
SCHEMBL9512829 0.86 CA1 (0.37) CA1CA2MAPTLMNATP53
SCHEMBL23638712 0.86 NPC1 (0.37) CA1CA2ACSS2MAPTLMNA
SCHEMBL8922405 0.86 CA1 (0.40) CA1CA2MAPTLMNANPC1
SCHEMBL30887134 0.86 CA1 (0.38) CA1CA2LMNATP53PDE3B
SCHEMBL21586965 0.85 NPC1 (0.40) CA1CA2ACSS2MAPTLMNA
SCHEMBL30887157 0.85 PDE2A (0.36) CA1CA2ACSS2MAPTLMNA
SCHEMBL21586947 0.85 PDE2A (0.36) CA1CA2ACSS2MAPTLMNA
SCHEMBL1247781 0.85 CA1 (0.39) CA1CA2MAPTLMNATP53
SCHEMBL3879963 0.84 POLB (0.39) CA1CA2MAPTLMNATP53

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-0283166-B1 2-(2'-HYDROXYPHENYL)-5(6) (ACRYLOYLOXYALKOXY)-BENZOTRIAZOLE AND ULTRAVIOLET ABSORBING POLYMERS THEREFROM IOLAB CORPORATION (US) 1992-01-02 EP disclosed