SCHEMBL4643390

SCHEMBL4643390

C[CH]C(=O)Oc1cc(C(=O)OCC)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.67
CA12 O43570 4/20 0.60
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
CA7 P43166 4/20 0.60
CA9 Q16790 4/20 0.60
CA14 Q9ULX7 4/20 0.60
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
HDAC6 Q9UBN7 1/20 0.49
ESR1 P03372 2/20 0.49
ESR2 Q92731 1/20 0.49
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PTPN11 Q06124 1/20 0.42

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
SCHEMBL4643661 0.87 HSD17B2 (0.65) HSD17B2CA12CA1CA2CA7
SCHEMBL4644415 0.85 HSD17B2 (0.62) HSD17B2CA12CA1CA2CA7
SCHEMBL4643560 0.84 HSD17B2 (0.61) HSD17B2CA12CA1CA2CA7
SCHEMBL1810950 0.84 HSD17B2 (0.72) HSD17B2CA12CA1CA2CA7
SCHEMBL4647326 0.82 HSD17B2 (0.70) HSD17B2CA12CA1CA2CA7
SCHEMBL4647271 0.81 HSD17B2 (0.68) HSD17B2CA12CA1CA2CA7
SCHEMBL7715844 0.80 HSD17B2 (0.77) HSD17B2CA12CA1CA2CA7
SCHEMBL155638 0.80 HSD17B2 (1.00) HSD17B2CA12CA1CA2CA7
SCHEMBL4641748 0.80 HSD17B2 (0.67) HSD17B2CA12CA1CA2CA7
SCHEMBL4643395 0.80 HSD17B2 (0.67) HSD17B2CA12CA1CA2CA7

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