SCHEMBL6652865

SCHEMBL6652865

CC(C)OC(=O)c1ccc2cc(OCc3ccccc3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
MAOB P27338 4/20 0.54
MRGPRX4 Q96LA9 1/20 0.53
NR4A2 P43354 2/20 0.52
NR4A1 P22736 1/20 0.52
NR4A3 Q92570 1/20 0.52
NPC1 O15118 3/20 0.52
MAPT P10636 2/20 0.52
P2RY14 Q15391 1/20 0.51
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PARP10 Q53GL7 1/20 0.50
SRD5A2 P31213 3/20 0.49
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
GAA P10253 1/20 0.48
XBP1 P17861 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL11606975 0.88 MAOB (0.65) MAOBNR4A2NR4A1NR4A3NPC1
SCHEMBL6650522 0.87 ALOX5 (0.52) ALOX5MAOBMRGPRX4NR4A2NR4A1
SCHEMBL1779167 0.85 ALOX5 (0.59) ALOX5MAOBMRGPRX4NR4A2NR4A1
SCHEMBL6658052 0.85 ADRB2 (0.54) ALOX5MAOBMRGPRX4NR4A2NR4A1
SCHEMBL3235219 0.83 ALOX5 (0.61) ALOX5MAOBMRGPRX4NR4A2NR4A1
SCHEMBL9799527 0.83 ALDH1A1 (0.52) ALOX5MAOBMRGPRX4NR4A2NR4A1
SCHEMBL9799530 0.83 ALDH1A1 (0.52) ALOX5MAOBMRGPRX4NR4A2NR4A1
SCHEMBL9779542 0.83 ALDH1A1 (0.52) ALOX5MAOBMRGPRX4NR4A2NR4A1
SCHEMBL1777985 0.83 ALOX5 (0.60) ALOX5MAOBMRGPRX4NR4A2NR4A1
SCHEMBL6649144 0.83 NPC1 (0.50) ALOX5MAOBMRGPRX4NR4A2NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1120399-B1 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2004-06-09 EP disclosed
EP-1120400-B1 Naphtahlene compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2003-09-24 EP disclosed
EP-0757032-B1 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2001-12-12 EP disclosed
EP-1120399-A1 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same Mitsui Chemicals, Inc. (JP) 2001-08-01 EP disclosed
EP-1120400-A1 Naphtahlene compound, and liquid crystal composition and liquid crystal element using the same Mitsui Chemicals, Inc. (JP) 2001-08-01 EP disclosed
US-5861108-A IMPROVES HIGH SPEED RESPONSE PROPERTY AND TEMPERATURE DEPENDENCY OF THE RESPONSE TIME MITSUI CHEMICALS, INC. (JP) 1999-01-19 US disclosed
EP-0757032-A2 Naphthalene compound, and liquid crystal composition and liquid crystal element using the same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-02-05 EP disclosed