SCHEMBL4579537

SCHEMBL4579537

CC(C)(C)c1cc(OCC[NH])cc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HRH3 Q9Y5N1 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
CNR1 P21554 4/20 0.32
CNR2 P34972 4/20 0.32
ELANE P08246 1/20 0.32
CD69 Q07108 1/20 0.32

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
SCHEMBL2678597 0.79 GABRA1 (0.38) GABRA1GABRB2L3MBTL1LMNAPOLB
SCHEMBL2678696 0.79 GABRA1 (0.38) GABRA1GABRB2L3MBTL1LMNAPOLB
SCHEMBL2678598 0.79 GABRA1 (0.38) GABRA1GABRB2L3MBTL1LMNAPOLB
SCHEMBL4579541 0.79 HTR1D (0.48) GABRA1GABRB2L3MBTL1LMNAPOLB
SCHEMBL2678698 0.79 SMN1; SMN2 (0.49) GABRA1GABRB2L3MBTL1LMNAPOLB
SCHEMBL7879116 0.78 GABRA1 (0.41) GABRA1GABRB2L3MBTL1LMNAPOLB
SCHEMBL278311 0.77 MAPT (0.40) L3MBTL1LMNAPOLBHTTKDM4E
SCHEMBL25468623 0.76 NQO1 (0.46) GABRA1GABRB2L3MBTL1LMNAPOLB
SCHEMBL12733585 0.75 F2R (0.36) GABRA1GABRB2L3MBTL1LMNAPOLB
SCHEMBL852266 0.74 GABRA1 (0.46) GABRA1GABRB2POLBHTR1DHTR1B

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
US-7399569-B2 Method for producing microcapsules, microcapsules, recording material, and heat-sensitive recording material FUJIFILM CORPORATION (JP) 2008-07-15 US disclosed
US-20050187102-A1 Method for producing microcapsules, microcapsules, recording material, and heat-sensitive recording material FUJI PHOTO FILM CO., LTD. 2005-08-25 US disclosed