SCHEMBL6658052

SCHEMBL6658052

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.54
ADRB1 P08588 2/20 0.54
ADRB3 P13945 2/20 0.54
ALOX5 P09917 1/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
XBP1 P17861 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAOB P27338 4/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
NR4A2 P43354 2/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
P2RY14 Q15391 1/20 0.49
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
KMT2A Q03164 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
SCHEMBL9710281 0.89 MAPT (0.53) ADRB2ADRB1ADRB3ALOX5NPC1
SCHEMBL6649144 0.88 NPC1 (0.50) ADRB2ADRB1ADRB3ALOX5NPC1
SCHEMBL6657813 0.88 ADRB2 (0.52) ADRB2ADRB1ADRB3ALOX5NPC1
SCHEMBL3235219 0.87 ALOX5 (0.61) ALOX5NPC1MAPTGAAXBP1
SCHEMBL6651631 0.86 NPC1 (0.48) ADRB2ADRB1ADRB3ALOX5NPC1
SCHEMBL6652865 0.85 ALOX5 (0.55) ALOX5NPC1MAPTGAAXBP1
SCHEMBL4254032 0.84 ALOX5 (0.62) ALOX5NPC1MAPTGAAXBP1
SCHEMBL1779167 0.83 ALOX5 (0.59) ALOX5NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL11983342 0.82 ADRB2 (0.67) ADRB2ADRB1ADRB3NPC1MAPT
SCHEMBL20942845 0.82 ADRB2 (0.57) ADRB2ADRB1ADRB3MAPTALDH1A1

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-1120400-A1 Naphtahlene compound, and liquid crystal composition and liquid crystal element using the same Mitsui Chemicals, Inc. (JP) 2001-08-01 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
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