SCHEMBL6655945

SCHEMBL6655945

O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc2cc(O)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
KDR P35968 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HRH3 Q9Y5N1 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6654478 0.99 ESR1 (0.38) ESR1TSHRTDP1ALDH1A1CHRM1
SCHEMBL6936160 0.86 ESR1 (0.53) ESR1TSHRTDP1ALDH1A1CHRM1
SCHEMBL8945596 0.85 ESR1 (0.51) ESR1TSHRTDP1ALDH1A1CHRM1
SCHEMBL1996059 0.82 ESR1 (0.41) ESR1TSHRTDP1ALDH1A1CHRM1
SCHEMBL6652153 0.82 MAPT (0.53) TDP1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6653071 0.81 MAPT (0.53) TDP1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL19763407 0.80 ESR1 (0.53) ESR1TSHRTDP1ALDH1A1CHRM1
SCHEMBL2001473 0.80 TDP1 (0.40) TSHRTDP1ALDH1A1SLC6A2RAB9A
SCHEMBL14064699 0.80 TDP1 (0.40) TSHRTDP1ALDH1A1SLC6A2RAB9A
SCHEMBL14064592 0.79 SERPINE1 (0.41) ESR1TDP1RAB9ASERPINE1CA1

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