SCHEMBL28670923

SCHEMBL28670923

Cc1cc(OC(=O)C(C)C)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.53
CA2 P00918 1/20 0.45
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
XBP1 P17861 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
TP53 P04637 1/20 0.41
ACHE P22303 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
PDE10A Q9Y233 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL417816 0.83 MT-CO2 (0.46) ELANEGAAL3MBTL1XBP1ATM
SCHEMBL418274 0.83 ACHE (0.56) ELANEGAATDP1TP53ACHE
SCHEMBL23923148 0.81 ATM (0.63) ELANEGAAL3MBTL1XBP1ATM
SCHEMBL3720563 0.81 ALDH1A1 (0.48) TDP1TP53PDE10AMAPTKDM4E
SCHEMBL17355713 0.81 ELANE (0.51) ELANECA2L3MBTL1TDP1HTR1D
SCHEMBL6823620 0.79 ACHE (0.51) ELANEGAATDP1TP53ACHE
SCHEMBL9619687 0.79 ELANE (0.53) ELANECA2NPSR1TDP1HTR1D
SCHEMBL6823622 0.79 ACHE (0.51) ELANEGAATDP1TP53ACHE
SCHEMBL4876550 0.78 ERN1 (0.60) ELANECA2
SCHEMBL21795326 0.78 ELANE (0.79) ELANECA2L3MBTL1ATMHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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