SCHEMBL4645024

SCHEMBL4645024

COC(=O)/C=C\C(=O)OCC(=O)Oc1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
TYR P14679 1/20 0.39
NPC1 O15118 1/20 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
SCHEMBL4642081 1.00 CYP3A4 (0.49) CYP3A4ESR1ESR2MAPTALDH1A1
SCHEMBL4642073 1.00 CYP3A4 (0.49) CYP3A4ESR1ESR2MAPTALDH1A1
SCHEMBL4642430 0.89 MAPT (0.49) CYP3A4ESR1ESR2MAPTALDH1A1
SCHEMBL4641671 0.89 MAPT (0.49) CYP3A4ESR1ESR2MAPTALDH1A1
SCHEMBL4641661 0.89 MAPT (0.49) CYP3A4ESR1ESR2MAPTALDH1A1
SCHEMBL4641376 0.87 CYP3A4 (0.47) CYP3A4ESR1ESR2MAPTALDH1A1
SCHEMBL4641384 0.87 CYP3A4 (0.47) CYP3A4ESR1ESR2MAPTALDH1A1
SCHEMBL4642185 0.87 CYP3A4 (0.47) CYP3A4ESR1ESR2MAPTALDH1A1
SCHEMBL4646044 0.86 MAPT (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4642362 0.86 MAPT (0.44) MAPTALDH1A1MEN1KMT2AKDM4E

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