SCHEMBL4642500

SCHEMBL4642500

CC[CH]C(=O)Oc1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
MAPT P10636 4/20 0.46
JAK2 O60674 1/20 0.46
LMNA P02545 1/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PTGS2 P35354 2/20 0.38
MAPK1 P28482 2/20 0.38
CA12 O43570 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
SCHEMBL6554234 0.88 ALDH1A1 (0.46) MAPTLMNACA1CA2TP53
SCHEMBL4643846 0.86 GAA (0.43) GAAMAPTJAK2LMNACA1
SCHEMBL4641966 0.82 POLB (0.47) MAPTLMNACA1CA2POLB
SCHEMBL4647755 0.81 ALDH1A1 (0.52) GAAMAPTLMNAPOLBKMT2A
SCHEMBL4645660 0.79 TSHR (0.48) GAAMAPTJAK2LMNACA1
SCHEMBL689904 0.79 MAPT (0.60) GAAMAPTJAK2LMNACA1
SCHEMBL688592 0.79 MAPT (0.60) GAAMAPTJAK2LMNACA1
SCHEMBL688593 0.79 MAPT (0.60) GAAMAPTJAK2LMNACA1
SCHEMBL1918661 0.77 GAA (0.47) GAAMAPTJAK2LMNACA1
SCHEMBL5612980 0.77 ZDHHC2 (0.46) MAPTKMT2ATHRBHPGDHSD17B10

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