SCHEMBL4644469

SCHEMBL4644469

C[CH]C(=O)Oc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
MAOB P27338 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
F3 P13726 1/20 0.48
PARP1 P09874 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL12125025 0.84 MAOB (0.59) CES2CES1CA1CA2CA12
SCHEMBL28894188 0.84 MAOB (0.59) CES2CES1CA1CA2CA12
SCHEMBL4643342 0.82 ELANE (0.48) CA1CA2CA12CA7CA9
SCHEMBL1061204 0.80 THRB (0.59) CES2CES1CA1CA2CA12
SCHEMBL4642693 0.80 LMNA (0.47) CES2CES1CA1CA2CA9
SCHEMBL30925017 0.80 CES2 (0.50) CES2CES1CA1CA2CA12
SCHEMBL4642279 0.80 CES2 (0.50) CES2CES1CA1CA2CA12
SCHEMBL4644243 0.79 CA1 (0.62) CA1CA2CA12CA7CA9
SCHEMBL4645734 0.79 CA12 (0.57) CA1CA2CA12CA7CA9
SCHEMBL219758 0.79 ATM (0.47) MAOBALDH1A1GAAATMMAPT

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