SCHEMBL4642253

SCHEMBL4642253

CCOC(=O)C=CC(=O)OCCC(O)C(=O)Oc1cccc(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
MAPT P10636 6/20 0.41
LMNA P02545 3/20 0.41
MDM2 Q00987 2/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA7 P43166 3/20 0.40
CA9 Q16790 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CA2 P00918 1/20 0.40
AKR1B10 O60218 3/20 0.39
AKR1B1 P15121 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39

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
SCHEMBL4643910 0.91 CYP3A4 (0.43) CYP3A4MAPTLMNACA12CA1
SCHEMBL4647853 0.86 MAPT (0.48) MAPTLMNAMDM2CA12CA1
SCHEMBL4648023 0.80 CYP3A4 (0.44) CYP3A4MAPTLMNAMDM2HSD17B1
SCHEMBL4647847 0.80 CYP3A4 (0.44) CYP3A4MAPTLMNAMDM2HSD17B1
SCHEMBL4647851 0.80 CYP3A4 (0.44) CYP3A4MAPTLMNAMDM2HSD17B1
SCHEMBL4643328 0.79 TDP1 (0.49) MAPTLMNAMDM2L3MBTL1ALDH1A1
SCHEMBL4641661 0.79 MAPT (0.49) CYP3A4MAPTLMNAMDM2HSD17B1
SCHEMBL4642430 0.79 MAPT (0.49) CYP3A4MAPTLMNAMDM2HSD17B1
SCHEMBL4641671 0.79 MAPT (0.49) CYP3A4MAPTLMNAMDM2HSD17B1
SCHEMBL4642181 0.76 ADRB2 (0.42) MAPTLMNAMDM2AKR1B10AKR1B1

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