SCHEMBL6653071

SCHEMBL6653071

O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc2cc(OCc3ccccc3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.53
XBP1 P17861 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALOX5 P09917 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
P2RY14 Q15391 1/20 0.43
NR4A2 P43354 2/20 0.42
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
MAOB P27338 3/20 0.41
PARP10 Q53GL7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SRD5A2 P31213 1/20 0.40

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
SCHEMBL6652153 0.99 MAPT (0.53) MAPTNPC1RAB9AGAAXBP1
SCHEMBL6654478 0.82 ESR1 (0.38) MAPTNPC1RAB9AGAAXBP1
SCHEMBL6655945 0.81 ESR1 (0.39) MAPTNPC1RAB9AGAAXBP1
SCHEMBL3235219 0.79 ALOX5 (0.61) MAPTNPC1RAB9AGAAXBP1
SCHEMBL9578498 0.79 NR4A2 (0.52) MAPTNPC1RAB9AGAAXBP1
SCHEMBL1996495 0.78 TDP1 (0.53) NPC1RAB9AGAASMN1; SMN2TDP1
SCHEMBL1996689 0.78 TDP1 (0.53) NPC1RAB9AGAASMN1; SMN2TDP1
SCHEMBL4254032 0.77 ALOX5 (0.62) MAPTNPC1RAB9AGAAXBP1
SCHEMBL2001473 0.77 TDP1 (0.40) RAB9ASMN1; SMN2TDP1ALDH1A1
SCHEMBL14064699 0.77 TDP1 (0.40) RAB9ASMN1; SMN2TDP1ALDH1A1

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