SCHEMBL9006544

SCHEMBL9006544

COc1ccc(C=CC(=O)C=Cc2ccc(C(C)(c3ccc(OC(F)=C(F)F)cc3)c3ccc(OC(F)=C(F)F)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 2/20 0.60
GSK3B P49841 2/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
BACE1 P56817 1/20 0.50
MAOB P27338 1/20 0.50
STAT3 P40763 1/20 0.49
CYP1A2 P05177 3/20 0.49
TRPV1 Q8NER1 1/20 0.48
THRB P10828 1/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CAPN1 P07384 1/20 0.45

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
SCHEMBL9006540 1.00 F3 (0.60) F3GSK3BCYP1A1CYP1B1BACE1
SCHEMBL9006435 0.91 F3 (0.73) F3GSK3BBACE1MAOBSTAT3
SCHEMBL9006439 0.91 F3 (0.73) F3GSK3BBACE1MAOBSTAT3
SCHEMBL9006633 0.90 CYP1A2 (0.49) F3GSK3BCYP1A1CYP1B1BACE1
SCHEMBL9006799 0.90 HSD11B1 (0.53) F3GSK3BCYP1A1CYP1B1BACE1
SCHEMBL9006794 0.90 HSD11B1 (0.53) F3GSK3BCYP1A1CYP1B1BACE1
SCHEMBL9006637 0.90 CYP1A2 (0.49) F3GSK3BCYP1A1CYP1B1BACE1
SCHEMBL9006732 0.90 CYP1A2 (0.60) F3CYP1A1CYP1B1MAOBCYP1A2
SCHEMBL9006726 0.90 CYP1A2 (0.60) F3CYP1A1CYP1B1MAOBCYP1A2
SCHEMBL9006786 0.89 CYP1A2 (0.51) F3CYP1A1CYP1B1MAOBCYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489623-A APPLYING POLYMER TO SURFACE, EXPOSING TO INCIDENT PHOTONICRADIATION TO RENDER PORTIONS LESS SOLUBLE OR DISPERSIBLE THE DOW CHEMICAL COMPANY (US) 1996-02-06 US claimed
US-5426164-A Solvent and chemical resistant coatings and photoresists; photocuring of perfluorovinyl polymers containing photo active sites; cyclization THE DOW CHEMICAL COMPANY (US) 1995-06-20 US claimed
US-5489623-A APPLYING POLYMER TO SURFACE, EXPOSING TO INCIDENT PHOTONICRADIATION TO RENDER PORTIONS LESS SOLUBLE OR DISPERSIBLE THE DOW CHEMICAL COMPANY (US) 1996-02-06 US disclosed
US-5426164-A Solvent and chemical resistant coatings and photoresists; photocuring of perfluorovinyl polymers containing photo active sites; cyclization THE DOW CHEMICAL COMPANY (US) 1995-06-20 US disclosed