SCHEMBL6560469

SCHEMBL6560469

CCC(=O)OCC(C)OCC(C)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.47
MTNR1B P49286 4/20 0.47
MAPT P10636 1/20 0.42
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ELANE P08246 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL21976701 0.94 MTNR1A (0.51) MTNR1AMTNR1BMAPTTSHRALDH1A1
SCHEMBL28494284 0.89 MTNR1A (0.44) MTNR1AMTNR1BMAPTTSHRALDH1A1
SCHEMBL896676 0.85 MTNR1A (0.53) MTNR1AMTNR1BMAPTTSHRALDH1A1
SCHEMBL896832 0.85 MTNR1A (0.53) MTNR1AMTNR1BMAPTTSHRALDH1A1
SCHEMBL12971076 0.85 MTNR1A (0.47) MTNR1AMTNR1BMAPTTSHRALDH1A1
SCHEMBL12971188 0.82 ALDH1A1 (0.53) MTNR1AMTNR1BMAPTTSHRALDH1A1
SCHEMBL21976742 0.80 MAPT (0.44) MTNR1AMTNR1BMAPTALDH1A1LMNA
SCHEMBL21976704 0.80 MTNR1A (0.53) MTNR1AMTNR1BALDH1A1GAA
SCHEMBL27672907 0.80 MTNR1A (0.39) MTNR1AMTNR1BMAPTTSHRALDH1A1
SCHEMBL27724493 0.79 CYP3A4 (0.45) MTNR1AMTNR1B

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