SCHEMBL6558980

SCHEMBL6558980

CCCCOC(c1ccccc1)C(C)OCC(C)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GPR88 Q9GZN0 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LTA4H P09960 1/20 0.36
ASAH1 Q13510 1/20 0.35
ACER2 Q5QJU3 1/20 0.35
PLA2G4B P0C869 1/20 0.35
NAAA Q02083 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6559798 0.91 LMNA (0.42) LMNAALDH1A1KDM4ECYP3A4TDP1
SCHEMBL10534307 0.90 NPC1 (0.40) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6558950 0.84 LMNA (0.44) LMNAALDH1A1KDM4EPOLB
SCHEMBL6558867 0.83 ALDH1A1 (0.44) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6559691 0.81 LMNA (0.44) LMNAALDH1A1KDM4ECYP3A4
SCHEMBL6558908 0.80 LMNA (0.46) LMNAALDH1A1KDM4ECYP3A4
SCHEMBL6558628 0.78 LMNA (0.44) LMNAALDH1A1KDM4E
SCHEMBL6560512 0.76 LMNA (0.42) LMNAALDH1A1KDM4E
SCHEMBL11834783 0.76 LMNA (0.42) LMNAALDH1A1KDM4E
SCHEMBL27795522 0.76 GPR88 (0.43) LMNAALDH1A1NPC1RAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1782877-A Anti-corrosion agent composition DAICEL CHEM (JP) 2006-06-07 CN disclosed
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