SCHEMBL4667901

SCHEMBL4667901

COc1ccc(C=CCOC(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.56
F3 P13726 2/20 0.54
THRB P10828 1/20 0.53
ATM Q13315 1/20 0.53
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50

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
SCHEMBL28470266 0.88 GSK3B (0.57) GSK3BF3THRBATMHDAC3
SCHEMBL16524866 0.87 MAPT (0.58) GSK3BTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28470267 0.87 THRB (0.57) GSK3BF3THRBATMHDAC3
SCHEMBL13568130 0.87 MAPT (0.58) GSK3BTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3292230 0.85 GSK3B (0.58) GSK3BF3THRBATMHDAC3
SCHEMBL3297767 0.85 GSK3B (0.58) GSK3BF3THRBATMHDAC3
SCHEMBL28770857 0.84 GSK3B (0.50) GSK3BF3THRBATMHDAC3
SCHEMBL5855347 0.84 GSK3B (0.54) GSK3BF3THRBATMHDAC3
SCHEMBL5855344 0.84 GSK3B (0.54) GSK3BF3THRBATMHDAC3
SCHEMBL9997863 0.83 MAPT (0.44) NPC1RAB9AGRIK1GRIK2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116396185-B Preparation method of N-allyl aryl hydrazine compound 江西师范大学 2023-08-18 CN disclosed
CN-116396185-A Preparation method of N-allyl aryl hydrazine compound 江西师范大学 2023-07-07 CN disclosed
EP-1941870-B1 Perfume Composition comprising perilla aldehyde SHISEIDO CO LTD (JP) 2018-05-09 EP disclosed
EP-1941870-A2 Perfume Composition comprising perilla aldehyde Shiseido Co., Ltd. (JP) 2008-07-09 EP disclosed
US-7169746-B2 Perfume composition SHISEIDO CO., LTD. (JP) 2007-01-30 US disclosed
CN-1273127-C Perfume composition SHISEIDO CO LTD (JP) 2006-09-06 CN disclosed
US-20040242452-A1 For effecting mental control through psycho-sedation or psycho-stimulation SHISEIDO COMPANY, LTD. (JP) 2004-12-02 US disclosed
CN-1538840-A Perfume composition ������������ʽ���� 2004-10-20 CN disclosed
EP-1424071-A1 PERFUME COMPOSITIONS SHISEIDO COMPANY LIMITED (JP) 2004-06-02 EP disclosed