SCHEMBL4643910

SCHEMBL4643910

COC(=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
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
AKR1B10 O60218 5/20 0.39
AKR1B1 P15121 5/20 0.39
CA12 O43570 3/20 0.39
CA4 P22748 3/20 0.39
CA6 P23280 3/20 0.39
CA5A P35218 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
CA1 P00915 2/20 0.39
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL4642253 0.91 CYP3A4 (0.43) CYP3A4ESR1ESR2AKR1B10AKR1B1
SCHEMBL4642181 0.86 ADRB2 (0.42) AKR1B10AKR1B1LMNATDP1MAPT
SCHEMBL4642185 0.81 CYP3A4 (0.47) CYP3A4ESR1ESR2AKR1B10AKR1B1
SCHEMBL4641384 0.81 CYP3A4 (0.47) CYP3A4ESR1ESR2AKR1B10AKR1B1
SCHEMBL4641376 0.81 CYP3A4 (0.47) CYP3A4ESR1ESR2AKR1B10AKR1B1
SCHEMBL29331106 0.80 CYP3A4 (0.61) CYP3A4ESR1ESR2CA12CA7
SCHEMBL4644842 0.80 CYP3A4 (0.44) CYP3A4ESR1ESR2AKR1B10AKR1B1
SCHEMBL4642168 0.80 CYP3A4 (0.44) CYP3A4ESR1ESR2AKR1B10AKR1B1
SCHEMBL4641508 0.79 ZDHHC2 (0.41) AKR1B10AKR1B1LMNATDP1MAPT
SCHEMBL4642081 0.79 CYP3A4 (0.49) CYP3A4ESR1ESR2MAPTALDH1A1

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