SCHEMBL5710092

SCHEMBL5710092

CC(C)(C)COC(=O)c1ccccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
TSHR P16473 5/20 0.56
LMNA P02545 3/20 0.56
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55
ADRB3 P13945 1/20 0.55
ALDH1A1 P00352 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.46
USP2 O75604 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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
SCHEMBL8341763 0.89 TDP1 (0.61) TDP1TSHRLMNAADRB2ADRB1
SCHEMBL23484567 0.89 TDP1 (0.61) TDP1TSHRLMNAADRB2ADRB1
SCHEMBL204881 0.89 TSHR (0.61) TDP1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL23484459 0.85 TDP1 (0.65) TDP1TSHRLMNAADRB2ADRB1
SCHEMBL10539768 0.85 TDP1 (0.56) TDP1TSHRLMNAADRB2ADRB1
SCHEMBL8340553 0.84 TDP1 (0.59) TDP1TSHRLMNAADRB2ADRB1
SCHEMBL5663440 0.83 ADRB2 (0.56) TDP1TSHRLMNAADRB2ADRB1
SCHEMBL6911577 0.82 TSHR (0.75) TDP1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL7633775 0.82 ALDH1A1 (0.59) TDP1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL8442126 0.82 TDP1 (0.61) TDP1TSHRLMNAADRB2ADRB1

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 6 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
EP-1179435-A1 Reversible thermochromic composition having improved light-fastness and product comprising same The Pilot Ink Co., Ltd. (JP) 2002-02-13 EP disclosed