SCHEMBL6655844

SCHEMBL6655844

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.51
ADRB1 P08588 4/20 0.51
ADRB3 P13945 4/20 0.51
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
PTPN1 P18031 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
CLK1 P49759 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
ESR1 P03372 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
ESR2 Q92731 1/20 0.45

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
SCHEMBL20942845 0.92 ADRB2 (0.57) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL14996411 0.90 PTPN1 (0.49) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL19134456 0.89 ADRB2 (0.53) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL6940148 0.87 MAPT (0.60) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL9700051 0.87 MAPT (0.60) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL20834627 0.86 MAPT (0.54) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL13236523 0.86 CA12 (0.54) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL11983342 0.86 ADRB2 (0.67) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL6654946 0.85 PKM (0.54) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL6650961 0.85 ALDH1A1 (0.51) ADRB2ADRB1ADRB3ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11140024-A None JP disclosed
CN-104768914-A Method for producing 6,6'-(ethylenedioxy)di-2-naphthoic acid diester TEIJIN LTD 2015-07-08 CN disclosed
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
JP-H11140024-A NAPHTHALENE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DEVICE MITSUI CHEM INC 1999-05-25 JP 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