SCHEMBL8716748

SCHEMBL8716748

CCOC(=O)C(CCCCc1ccc(-c2ccccc2)cc1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
MGLL Q99685 2/20 0.48
MMP12 P39900 3/20 0.46
HDAC2 Q92769 2/20 0.45
HDAC1 Q13547 1/20 0.44
RARB P10826 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP8 P22894 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43

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
SCHEMBL7638356 0.92 TDP1 (0.55) TDP1MAPK1L3MBTL1MMP8
SCHEMBL7644517 0.91 TDP1 (0.54) TDP1MAPK1L3MBTL1MMP8
SCHEMBL7640340 0.91 TDP1 (0.54) TDP1MAPK1L3MBTL1MMP8
SCHEMBL2422561 0.88 TDP1 (0.56) TDP1MAPK1L3MBTL1MMP8
SCHEMBL8171961 0.84 TDP1 (0.63) TDP1MAPK1L3MBTL1MMP8
SCHEMBL11206749 0.83 TDP1 (0.61) TDP1MAPK1L3MBTL1MMP8
SCHEMBL11214126 0.83 TDP1 (0.61) TDP1MAPK1L3MBTL1MMP8
SCHEMBL11207050 0.83 TDP1 (0.61) TDP1MAPK1L3MBTL1MMP8
SCHEMBL8166768 0.83 TDP1 (0.61) TDP1MAPK1L3MBTL1MMP8
SCHEMBL11203243 0.83 TDP1 (0.57) TDP1MAPK1L3MBTL1MMP8

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
US-5741438-A Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as an effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-21 US disclosed
EP-0395390-B1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL CO (JP) 1994-09-28 EP disclosed
EP-0395390-A1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-31 EP disclosed