SCHEMBL6560846

SCHEMBL6560846

CCC(=O)OC(C)COc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
MTNR1A P48039 3/20 0.51
MTNR1B P49286 3/20 0.51
MAPT P10636 1/20 0.45
MAOA P21397 1/20 0.45
PTGS1 P23219 1/20 0.45
FFAR1 O14842 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP2D6 P10635 1/20 0.44
ADRB3 P13945 1/20 0.44
RECQL P46063 1/20 0.43
ALOX15 P16050 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
SCHEMBL6560466 0.94 LMNA (0.47) LMNAMTNR1AMTNR1BMAPTMAOA
SCHEMBL28493295 0.87 LMNA (0.50) LMNAMTNR1AMTNR1BMAPTMAOA
SCHEMBL9829824 0.85 LMNA (0.51) LMNAMTNR1AMTNR1BMAPTMAOA
SCHEMBL12144592 0.85 MAPT (0.49) LMNAMTNR1AMTNR1BMAPTFFAR1
SCHEMBL13997916 0.84 MTNR1A (0.60) LMNAMTNR1AMTNR1BMAPTMAOA
SCHEMBL10812509 0.84 MTNR1A (0.56) LMNAMTNR1AMTNR1BMAPTMAOA
SCHEMBL21850371 0.84 TDP1 (0.50) LMNAMTNR1AMTNR1BMAPTRECQL
SCHEMBL13431014 0.83 LMNA (0.49) LMNAMTNR1AMTNR1BMAPTRECQL
SCHEMBL578331 0.83 MTNR1A (0.58) LMNAMTNR1AMTNR1BMAPTMAOA
SCHEMBL13855336 0.83 ALDH1A1 (0.41) MAPTCYP2D6

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-0735403-B1 Liquid crystal orienting agent JSR CORP (JP) 2004-03-17 EP disclosed
US-5700860-A Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1997-12-23 US disclosed
EP-0735403-A1 Liquid crystal orienting agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-10-02 EP disclosed