SCHEMBL417816

SCHEMBL417816

Cc1cc(OC(=O)C(C)c2ccc(O)c(C)c2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PTGS2 P35354 4/20 0.42
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGS1 P23219 2/20 0.39
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
TSHR P16473 2/20 0.39
CDC42 P60953 1/20 0.39
RAC1 P63000 1/20 0.39
CYP1A2 P05177 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 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
SCHEMBL28670923 0.83 ELANE (0.53) L3MBTL1TDP1GAAXBP1ATM
SCHEMBL29160645 0.81 ATM (0.57) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL10426562 0.81 GAA (0.45) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL10682926 0.80 TDP1 (0.41) MT-CO2L3MBTL1TDP1PTGS2PTGS1
SCHEMBL10426650 0.79 GAA (0.46) L3MBTL1GAAXBP1ATMNPSR1
SCHEMBL27463423 0.78 APP (0.50) MT-CO2L3MBTL1TDP1PTGS1AKR1C3
SCHEMBL28017128 0.78 TP53 (0.45) MT-CO2TDP1GAANPSR1PTGS1
SCHEMBL30526268 0.76 AKR1C3 (0.54) PTGS2PTGS1AKR1C3AKR1C2TSHR
SCHEMBL11218780 0.76 AKR1C3 (0.54) PTGS2PTGS1AKR1C3AKR1C2TSHR
SCHEMBL3720563 0.76 ALDH1A1 (0.48) TDP1ACACBACACAMAPTKMT2A

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
US-20140004071-A1 Thermochromic Dental Material BROWN WILLIAM STEVEN (US) 2014-01-02 US claimed
CN-110446616-A Thermal recording material and product RICOH CO LTD 2019-11-12 CN disclosed
CN-107199794-B Thermal recording medium containing chelating agent 株式会社理光 2019-08-06 CN disclosed
US-20140004071-A1 Thermochromic Dental Material BROWN WILLIAM STEVEN (US) 2014-01-02 US disclosed
US-8193116-B2 Heat-sensitive recording material RICOH COMPANY, LTD. (JP) 2012-06-05 US disclosed
US-20120021900-A1 HEAT-SENSITIVE RECORDING MATERIAL RICOH COMPANY, LTD. (JP) 2012-01-26 US disclosed