SCHEMBL7518629

SCHEMBL7518629

CCCCCC1CCC(C2CCC(OCC(O)CC)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 2/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 1/20 0.33
NAAA Q02083 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.33
TBXAS1 P24557 1/20 0.32
LSS P48449 1/20 0.31

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
SCHEMBL7508936 0.87 CYP1A2 (0.33) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL4799760 0.82 CYP1A2 (0.42) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL9349253 0.82 CYP1A2 (0.42) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL10824059 0.82 CYP1A2 (0.42) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL7753053 0.82 CYP1A2 (0.42) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL7753046 0.82 CYP1A2 (0.42) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL7516013 0.81 CYP1A2 (0.38) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL10485875 0.80 CYP1A2 (0.41) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL10705049 0.80 CYP1A2 (0.41) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL10703742 0.80 CYP1A2 (0.41) HTTMEN1KMT2ATP53CYP1A2

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-0742275-B1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORP (JP) 2002-03-20 EP disclosed
US-5779936-A FLUORINATED BICYCLOHEXANE OR CYCLOHEXYLETHYL CYCLOHEXANE DERIVATIVE HAVING LOW VISCOSITY AND HIGH CLEARING POINT TEMPERATURE CHISSO CORPORATION (JP) 1998-07-14 US disclosed
EP-0742275-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1996-11-13 EP disclosed