SCHEMBL8553550

SCHEMBL8553550

CCCCCCCCC1Cc2ccc(-c3ncc(OC(=O)C4CCCO4)cn3)cc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.37
RAB9A P51151 4/20 0.35
HSD17B10 Q99714 3/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
HPGD P15428 3/20 0.33
NAMPT P43490 2/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
POLB P06746 1/20 0.33
GHSR Q92847 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL8551418 0.94 MCHR1 (0.37) MCHR1RAB9AHSD17B10LMNAMAPK1
SCHEMBL8555768 0.87 LMNA (0.38) MCHR1RAB9AHSD17B10LMNAMAPK1
SCHEMBL8554332 0.78 MAPT (0.40) MCHR1LMNASMN1; SMN2HPGDNPC1
SCHEMBL8556698 0.78 RAB9A (0.36) RAB9AHSD17B10SMN1; SMN2HPGDNPC1
SCHEMBL8553157 0.78 RAB9A (0.42) RAB9AHSD17B10SMN1; SMN2HPGDNPC1
SCHEMBL8551722 0.75 FYN (0.40) RAB9AHSD17B10SMN1; SMN2HPGDNPC1
SCHEMBL8542748 0.75 FYN (0.40) RAB9AHSD17B10SMN1; SMN2HPGDNPC1
SCHEMBL8553936 0.75 KMT2A (0.41) RAB9AMAPK1SMN1; SMN2NPC1ALDH1A1
SCHEMBL8558587 0.74 FYN (0.36) RAB9AHSD17B10SMN1; SMN2HPGDNPC1
SCHEMBL8552026 0.74 RAB9A (0.43) RAB9AHSD17B10SMN1; SMN2HPGDNPC1

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-0546338-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1998-02-04 EP disclosed
US-5385692-A Improved response CANON KABUSHIKI KAISHA (JP) 1995-01-31 US disclosed
EP-0546338-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1993-06-16 EP disclosed