SCHEMBL4641902

SCHEMBL4641902

COC(=O)C=CC(=O)OC(C)C(=O)Oc1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
GSK3B P49841 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
MAOB P27338 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4643969 1.00 SMN1; SMN2 (0.42) SMN1; SMN2NPC1CYP1A2CYP2D6CYP2C9
SCHEMBL4641890 1.00 SMN1; SMN2 (0.42) SMN1; SMN2NPC1CYP1A2CYP2D6CYP2C9
SCHEMBL4642429 0.88 MAPT (0.40) SMN1; SMN2RAB9ALMNATDP1MAOB
SCHEMBL4641847 0.88 MAPT (0.40) SMN1; SMN2RAB9ALMNATDP1MAOB
SCHEMBL4641837 0.88 MAPT (0.40) SMN1; SMN2RAB9ALMNATDP1MAOB
SCHEMBL4642151 0.81 TAS1R3 (0.43) LMNATDP1TAS1R3TAS1R1GSK3B
SCHEMBL4642137 0.81 TAS1R3 (0.43) LMNATDP1TAS1R3TAS1R1GSK3B
SCHEMBL4644928 0.81 TAS1R3 (0.43) LMNATDP1TAS1R3TAS1R1GSK3B
SCHEMBL4646079 0.80 KLK7 (0.52) SMN1; SMN2TDP1KLK7ALDH1A1GAA
SCHEMBL4642179 0.79 CYP3A4 (0.48) SMN1; SMN2NPC1CYP1A2CYP2C9HPGD

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