SCHEMBL28675369

SCHEMBL28675369

Cc1cc(COc2cccc(O)c2)cc(C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.58
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
MAOB P27338 8/20 0.46
F2 P00734 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44
ACHE P22303 1/20 0.44
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL14518225 0.86 LMNA (0.53) APPMAOBKDM4EMEN1ALDH1A1
SCHEMBL11300058 0.81 MAOB (0.70) APPCHRNB2CHRNA4MAOBF2
SCHEMBL28694832 0.80 CHRNB2 (0.47) APPCHRNB2CHRNA4MAOBDRD2
SCHEMBL7917111 0.79 MAOB (0.62) APPCHRNB2CHRNA4MAOBRAB9A
SCHEMBL8897512 0.79 MAPT (0.47) MAPK1KDM4EALDH1A1MAPTRAB9A
SCHEMBL384725 0.78 APP (0.71) APPMAOBDRD2DRD4ADRA1D
SCHEMBL27735405 0.78 APP (0.77) APPCHRNB2CHRNA4MAOBF2
SCHEMBL29548398 0.78 APP (0.71) APPMAOBDRD2DRD4ADRA1D
SCHEMBL27485721 0.78 CHRNB2 (0.49) APPCHRNB2CHRNA4MAOBDRD2
Phenol SCHEMBL28049001 0.77 APP (0.69) APPMAOBDRD2DRD4ADRA1D

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