SCHEMBL28675843

SCHEMBL28675843

Cc1cccc(COC(=O)c2ccc(O)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
ESR1 P03372 3/20 0.57
ESR2 Q92731 2/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
MMP2 P08253 1/20 0.57
MMP9 P14780 1/20 0.57
MMP12 P39900 1/20 0.57
MAOB P27338 2/20 0.55
SLC6A2 P23975 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
SLC6A3 Q01959 1/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53

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
SCHEMBL6394917 0.96 LMNA (0.60) LMNAKMT2AMEN1ESR1ESR2
SCHEMBL30279717 0.89 TDP1 (0.69) LMNAKMT2AMMP2MMP9MMP12
SCHEMBL4070672 0.89 LMNA (0.77) LMNAKMT2AMEN1ESR1ESR2
SCHEMBL31158271 0.87 MMP2 (0.59) KMT2AMMP2MMP9MMP12MAOB
SCHEMBL31158269 0.87 MMP2 (0.59) KMT2AMMP2MMP9MMP12MAOB
SCHEMBL29290538 0.87 ESR1 (0.68) LMNAKMT2AMEN1ESR1ESR2
SCHEMBL10785037 0.84 TDP1 (0.54) LMNAKMT2AMMP2MMP9MMP12
SCHEMBL27898357 0.83 RAB9A (0.57) KMT2AESR1MMP2MMP9MMP12
Benzyl Benzoate SCHEMBL19206962 0.83 KMT2A (0.74) LMNAKMT2AMEN1MMP2MMP9
SCHEMBL1129557 0.81 LMNA (0.66) LMNAKMT2AMEN1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113646052-B Reversible thermochromic composition, reversible thermochromic microcapsule pigment, and writing instrument 百乐墨水株式会社 2024-05-17 CN disclosed
CN-113785023-B Water-based ink composition for reversible thermochromic writing instrument, refill for refill and water-based ballpoint pen incorporating same 株式会社百乐 2023-05-12 CN disclosed
CN-113785023-A Water-based ink composition for reversible thermal discoloration writing instrument, refill containing the same, and water-based ballpoint pen 株式会社百乐 2021-12-10 CN disclosed
CN-113646052-A Reversible thermal discoloration composition, reversible thermal discoloration microcapsule pigment encapsulating the reversible thermal discoloration composition, and writing instrument using the reversible thermal discoloration microcapsule pigment 百乐墨水株式会社 2021-11-12 CN disclosed