SCHEMBL8719636

SCHEMBL8719636

CC(O)CCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 4/20 0.54
MMP12 P39900 2/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP13 P45452 1/20 0.51
MMP14 P50281 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
FFAR1 O14842 1/20 0.47
HDAC2 Q92769 1/20 0.46
ABCC4 O15439 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
PTGS1 P23219 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL8719640 0.95 MMP12 (0.50) FDFT1MMP12MMP2MMP9MMP13
SCHEMBL8716910 0.93 HDAC2 (0.50) FDFT1MMP12MMP2MMP9MMP13
SCHEMBL8716921 0.93 HDAC2 (0.50) FDFT1MMP12MMP2MMP9MMP13
SCHEMBL11807780 0.93 HDAC2 (0.50) FDFT1MMP12MMP2MMP9MMP13
SCHEMBL425971 0.89 MMP12 (0.59) FDFT1MMP12MMP2MMP9MMP13
SCHEMBL560468 0.88 CYP2D6 (0.49) CYP2D6HDAC2LMNA
SCHEMBL2571201 0.88 CYP2D6 (0.49) CYP2D6HDAC2LMNA
SCHEMBL10472566 0.88 CYP2D6 (0.49) CYP2D6HDAC2LMNA
SCHEMBL27492664 0.85 FDFT1 (0.57) FDFT1MMP12MMP2MMP9MMP13
SCHEMBL8157173 0.83 MMP12 (0.61) MMP12FFAR1

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-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
US-4235736-A LIQUID CRYSTALS FOR USE IN DISPLAY SYSTEMS THOMSON-CSF (FR) 1980-11-25 US disclosed