SCHEMBL4641812

SCHEMBL4641812

CCCC(OC(=O)C=CC(=O)OCC)(C(=O)OC(C)=O)C(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.38
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ATM Q13315 1/20 0.32
ESR1 P03372 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
MDM2 Q00987 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TTR P02766 1/20 0.30
DPP4 P27487 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4641685 0.88 HCAR2 (0.35) HCAR2
SCHEMBL4641536 0.81 HCAR2 (0.42) HCAR2CA12CA1CA2CA7
SCHEMBL4644058 0.78 MAPT (0.42) HCAR2CA12CA1CA2CA7
SCHEMBL4645849 0.77 HCAR2 (0.41) HCAR2CA12CA1CA2CA7
SCHEMBL4642022 0.75 LMNA (0.36) CA12CA1CA2CA7CA9
SCHEMBL4643653 0.72 HCAR2 (0.42) HCAR2CA12CA1CA2CA7
SCHEMBL4642731 0.70 MAPT (0.43) HCAR2CA12CA1CA2CA7
SCHEMBL4641548 0.68 HCAR2 (0.43) HCAR2CA12CA1CA2CA7
SCHEMBL4645546 0.68 HCAR2 (0.43) HCAR2CA12CA1CA2CA7
SCHEMBL8694166 0.68 HCAR2 (0.59) HCAR2CA12CA1CA2CA7

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