SCHEMBL5709999

SCHEMBL5709999

COCc1ccc(COC(=O)c2ccccc2O)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.76
TSHR P16473 3/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 6/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL28643355 0.88 TDP1 (0.83) TDP1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL22283425 0.88 TDP1 (0.71) TDP1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL27659738 0.87 TDP1 (0.76) TDP1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL29514798 0.87 TDP1 (0.76) TDP1TSHRLMNAALDH1A1L3MBTL1
Benzyl Salicylate SCHEMBL15573 0.86 TDP1 (1.00) TDP1TSHRLMNAALDH1A1L3MBTL1
Benzyl Salicylate SCHEMBL1871397 0.86 TDP1 (1.00) TDP1TSHRLMNAALDH1A1L3MBTL1
Benzyl Salicylate SCHEMBL30184766 0.86 TDP1 (1.00) TDP1TSHRLMNAALDH1A1L3MBTL1
Benzyl Salicylate SCHEMBL28184183 0.85 TDP1 (0.90) TDP1TSHRLMNAALDH1A1L3MBTL1
Benzyl Salicylate SCHEMBL7199160 0.85 TDP1 (0.96) TDP1TSHRLMNAALDH1A1L3MBTL1
Benzyl Salicylate SCHEMBL27731147 0.85 TDP1 (0.96) TDP1TSHRLMNAALDH1A1L3MBTL1

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-2772523-B1 REVERSIBLY THERMOCHROMIC COMPOSITION PILOT CORPORATION KK (JP) 2018-11-28 EP disclosed
US-20140291585-A1 REVERSIBLY THERMOCHROMIC COMPOSITION KABUSHIKI KAISHA PILOT CORPORATION (JP) 2014-10-02 US disclosed
EP-2772523-A1 REVERSIBLY THERMOCHROMIC COMPOSITION Kabushiki Kaisha Pilot Corporation (JP) 2014-09-03 EP disclosed
EP-1179435-B1 Reversible thermochromic composition having improved light-fastness and product comprising same PILOT INK CO LTD (JP) 2006-11-29 EP disclosed
US-6638620-B2 Discoloration sensitivity THE PILOT INK CO., LTD. (JP) 2003-10-28 US disclosed