SCHEMBL6652820

SCHEMBL6652820

[CH2]C(CCOCCOCCOCCCCCCCCC)OCCOCCOCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
USP2 O75604 1/20 0.39
CES2 O00748 2/20 0.37
DNM1 Q05193 1/20 0.37
PLA2G2C Q5R387 2/20 0.37
LPAR1 Q92633 4/20 0.36
LPAR3 Q9UBY5 4/20 0.36
LPAR2 Q9HBW0 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL9686459 0.94 HTT (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL29262452 0.94 HTT (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL9470655 0.94 HTT (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL9470883 0.94 HTT (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL9470629 0.94 HTT (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL9470833 0.94 HTT (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL22660955 0.92 TSHR (0.41) HTTMEN1THRBKMT2AMAPT
SCHEMBL6649730 0.92 HTT (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL8530071 0.86 HTT (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL28033462 0.86 TSHR (0.43) HTTMEN1THRBKMT2AMAPT

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 5 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-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
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