SCHEMBL6937283

SCHEMBL6937283

CC[C@H](C)CC(=O)Oc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.54
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
FFAR1 O14842 4/20 0.51
ACACB O00763 1/20 0.51
ADAMTS4 O75173 1/20 0.49
MMP13 P45452 1/20 0.49
ELANE P08246 1/20 0.49
MAOB P27338 1/20 0.49
MCL1 Q07820 2/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
LTA4H P09960 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
SCHEMBL9724797 0.88 ELANE (0.57) FFAR1ELANE
SCHEMBL9144630 0.83 L3MBTL1 (0.52) LMNAL3MBTL1FFAR1MAOBNR4A1
SCHEMBL9144634 0.83 L3MBTL1 (0.52) LMNAL3MBTL1FFAR1MAOBNR4A1
SCHEMBL6937874 0.82 ELANE (0.57) LMNAFFAR1ELANE
SCHEMBL9724830 0.82 ELANE (0.57) LMNAFFAR1ELANE
SCHEMBL10358648 0.82 ELANE (0.57) LMNAFFAR1ELANE
SCHEMBL9639286 0.82 FFAR1 (0.52) LMNAL3MBTL1FFAR1ACACBADAMTS4
SCHEMBL27581241 0.82 ELANE (0.59) LMNAL3MBTL1FFAR1ELANE
SCHEMBL10421858 0.81 ELANE (0.58) LMNAFFAR1ELANE
SCHEMBL9484001 0.80 MAPT (0.59) MMP12LMNAL3MBTL1FFAR1ACACB

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
EP-0962445-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS INC (JP) 2003-02-26 EP disclosed
US-6217793-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS, INC. (JP) 2001-04-17 US disclosed
EP-0962445-A1 Acetylene compound, liquid crystal composition and liquid crystal element Mitsui Chemicals, Inc. (JP) 1999-12-08 EP disclosed