SCHEMBL4669173

SCHEMBL4669173

COc1ccc(C=CC(=O)ON(C(C)O)C(C)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 2/20 0.57
LMNA P02545 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
THRB P10828 1/20 0.55
ATM Q13315 1/20 0.55
GSK3B P49841 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52

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
SCHEMBL572861 1.00 F3 (0.57) F3LMNATDP1HDAC3HDAC1
SCHEMBL5054344 0.85 TAS1R3 (0.55) MAPTKMT2ATAS1R3TAS1R1SMN1; SMN2
SCHEMBL15838 0.78 CA12 (0.71) F3LMNATDP1HDAC3HDAC1
SCHEMBL342878 0.78 CA12 (0.71) F3LMNATDP1HDAC3HDAC1
SCHEMBL1375342 0.78 GSK3B (0.59) F3LMNATDP1HDAC3HDAC1
SCHEMBL18121572 0.77 KMT2A (0.76) F3LMNATDP1HDAC3HDAC1
SCHEMBL1237222 0.77 GSK3B (0.73) F3LMNATDP1HDAC3HDAC1
SCHEMBL30105639 0.77 GSK3B (0.73) F3LMNATDP1HDAC3HDAC1
SCHEMBL1397478 0.77 GSK3B (0.73) F3LMNATDP1HDAC3HDAC1
Water SCHEMBL8001684 0.77 CA12 (0.69) F3LMNATDP1HDAC3HDAC1

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
EP-1613300-B1 PHOTOSTABILIZED TOPICAL FORMULATIONS OF KETOPROFEN CONTAINING TWO UV FILTERS BERLIN CHEMIE AG (DE) 2008-12-10 EP claimed
EP-1613300-B1 PHOTOSTABILIZED TOPICAL FORMULATIONS OF KETOPROFEN CONTAINING TWO UV FILTERS BERLIN CHEMIE AG (DE) 2008-12-10 EP disclosed
EP-1613300-A2 PHOTOSTABILIZED TOPICAL FORMULATIONS OF KETOPROFEN CONTAINING TWO UV FILTERS BERLIN-CHEMIE AG (DE) 2006-01-11 EP disclosed
WO-2004082580-A2 PHOTOSTABILIZED TOPICAL FORMULATIONS OF KETOPROFEN CONTAINING TWO UV FILTERS BERLIN-CHEMIE AKTIENGESELLSCHAFT (DE) 2004-09-30 WO disclosed