SCHEMBL4643665

SCHEMBL4643665

[CH2]CCC(=O)Oc1cc(C(=O)OCC)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.63
CA12 O43570 4/20 0.57
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA7 P43166 4/20 0.57
CA9 Q16790 4/20 0.57
CA14 Q9ULX7 4/20 0.57
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
HDAC6 Q9UBN7 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
CYP1A2 P05177 2/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAOA P21397 1/20 0.45
MEN1 O00255 1/20 0.42
SLC22A2 O15244 1/20 0.42
TMPRSS2 O15393 1/20 0.42
F2 P00734 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
SCHEMBL4644420 0.92 HSD17B2 (0.60) HSD17B2CA12CA1CA2CA7
SCHEMBL4643395 0.89 HSD17B2 (0.67) HSD17B2CA12CA1CA2CA7
SCHEMBL4641403 0.88 HSD17B2 (0.65) HSD17B2CA12CA1CA2CA7
SCHEMBL4646529 0.86 HSD17B2 (0.63) HSD17B2CA12CA1CA2CA7
SCHEMBL4647761 0.85 HSD17B2 (0.62) HSD17B2CA12CA1CA2CA7
SCHEMBL4642451 0.85 HSD17B2 (0.58) HSD17B2CA12CA1CA2CA7
SCHEMBL4647271 0.85 HSD17B2 (0.68) HSD17B2CA12CA1CA2CA7
SCHEMBL4641987 0.84 HSD17B2 (0.60) HSD17B2CA12CA1CA2CA7
SCHEMBL4645850 0.84 HSD17B2 (0.60) HSD17B2CA12CA1CA2CA7
SCHEMBL4641748 0.83 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