SCHEMBL9861837

SCHEMBL9861837

Cc1cc(CCCC(=O)O)cc(C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
HSD17B10 Q99714 1/20 0.49
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL8357921 0.94 MAPT (0.52) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL3580792 0.88 NPSR1 (0.55) SLC6A3NPSR1HMGB1CXCL12PTGS1
SCHEMBL17358226 0.88 HSD17B10 (0.46) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL5852238 0.85 GAA (0.49) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL17041945 0.82 PTGS1 (0.41) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL8846095 0.81 PTGS2 (0.57) MAPK1NPSR1HMGB1CXCL12PTGS1
SCHEMBL2570939 0.81 PTGS2 (0.57) MAPK1NPSR1HMGB1CXCL12PTGS1
SCHEMBL27918636 0.80 CYP1A2 (0.54) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL19857034 0.80 HDAC3 (0.55) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL22190396 0.80 MAPK1 (0.55) HDAC3MAPK1ADRA1AHDAC4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103080269-B Photochromic composition TOKUYAMA CORP. (JP) 2015-12-16 CN disclosed
CN-103080269-A Photochromic composition TOKUYAMA CORP 2013-05-01 CN disclosed
EP-0176294-B1 CYCLOHEXANE-1,3-DIONE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PROCESSES FOR PREPARING THEM, AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS ICI AUSTRALIA LIMITED (AU) 1991-06-05 EP disclosed
US-4639267-A Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1987-01-27 US disclosed
EP-0176294-A1 Cyclohexane-1,3-dione derivatives, compositions containing them, processes for preparing them, and their use as herbicides and plant growth regulators ICI AUSTRALIA LIMITED (AU) 1986-04-02 EP disclosed