SCHEMBL4644181

SCHEMBL4644181

C[CH]C(=O)Oc1ccccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA12 O43570 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA4 P22748 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46
KMT2A Q03164 1/20 0.46
TFEB P19484 1/20 0.46
NFE2L2 Q16236 1/20 0.46
PRSS1 P07477 1/20 0.45
ACR P10323 1/20 0.45
BCHE P06276 1/20 0.45

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
SCHEMBL9284213 0.86 MAPT (0.58) CA1CA2CA12CA7CA9
SCHEMBL28477536 0.84 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL31538165 0.84 CA1 (0.52) CA1CA2CA12CA7CA9
SCHEMBL2235806 0.82 THRA (0.53) CA1CA2CA12CA7CA9
SCHEMBL29999157 0.82 THRA (0.53) CA1CA2CA12CA7CA9
SCHEMBL28313261 0.81 THRA (0.51) CA1CA2CA12CA7CA9
SCHEMBL4645660 0.80 TSHR (0.48) CA1CA2SMN1; SMN2POLBHTT
SCHEMBL4641966 0.79 POLB (0.47) CA1CA2CA12CA7CA9
Guaiacol Carbonate SCHEMBL21541 0.79 CA1 (0.62) CA1CA2CA12CA7CA9
SCHEMBL30909436 0.79 CA1 (0.62) CA1CA2CA12CA7CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed