SCHEMBL7125671

SCHEMBL7125671

CCN(CC(C)C)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
AOC3 Q16853 3/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1I2 O75469 1/20 0.35
CYP2C9 P11712 1/20 0.35
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MC4R P32245 3/20 0.34
ESR1 P03372 1/20 0.34
RORC P51449 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
SCHEMBL1490146 0.84 LMNA (0.41) TAAR1AOC3NPC1LMNATP53
SCHEMBL16316809 0.79 LMNA (0.38) TAAR1AOC3NPC1LMNATP53
SCHEMBL6883380 0.78 TSHR (0.41) AOC3NPC1LMNAMAPTNFKB1
SCHEMBL9281558 0.77 ESR1 (0.40) TAAR1AOC3MAPTESR1MEN1
SCHEMBL7612924 0.75 TAAR1 (0.35) TAAR1SMN1; SMN2MC4RESR1PER2
SCHEMBL10989336 0.74 ESR1 (0.40) TAAR1AOC3NPC1LMNATP53
SCHEMBL10620529 0.72 ESR1 (0.47) TAAR1AOC3TP53MAPTESR1
SCHEMBL8959927 0.72 TSHR (0.55) TAAR1AOC3NPC1MAPTRAB9A
SCHEMBL24620291 0.71 KDM4E (0.40) TAAR1SLC6A2SLC6A3AOC3NPC1
SCHEMBL10989335 0.70 TAAR1 (0.43) TAAR1AOC3NPC1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6669765-B2 Thermochromic dry offset ink, and printed article produced using the same THE PILOT INK CO., LTD. (JP) 2003-12-30 US disclosed
US-20020121218-A1 Thermochromic dry offset ink, and printed article produced using the same PILOT INK CO., LTD., THE (JP) 2002-09-05 US disclosed
EP-0787779-B1 Preparation method for shear-thinning water-based ball-point pen inks, shear-thinning water-based ball-point pen ink compositions, and ball-point pens employing the same PILOT INK CO LTD (JP) 2001-07-18 EP disclosed
US-5785746-A INKS WITH COLOR, SOLVENT, NONIONIC SURFACTANT FOR BALL POINT PENS THE PILOT INK CO., LTD. (JP) 1998-07-28 US disclosed
EP-0665119-B1 Thermochromic colour-memory composition PILOT INK CO LTD (JP) 1997-12-03 EP disclosed
EP-0787779-A2 Preparation method for shear-thinning water-based ball-point pen inks, shear-thinning water-based ball-point pen ink compositions, and ball-point pens employing the same The Pilot Ink CO., Ltd. (JP) 1997-08-06 EP disclosed
US-5558699-A COLOR IS RETAINED AFTER HEATING OR COOLING IS WITHDRAWN, REACTION MEDIUM IS ALKYL OR ALKYLARYL KETONE THE PILOT INK CO., LTD. (JP) 1996-09-24 US disclosed
EP-0665119-A1 Thermochromic colour-memory composition THE PILOT INK CO., LTD. (JP) 1995-08-02 EP disclosed