SCHEMBL19612342

SCHEMBL19612342

CC(C)Oc1cccc(OC(C)C)c1Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
LTA4H P09960 2/20 0.42
TSHR P16473 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.42
NTRK1 P04629 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
ALDH1A1 P00352 3/20 0.40
ACHE P22303 1/20 0.40
PTGS1 P23219 1/20 0.39
MCHR1 Q99705 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
RIPK1 Q13546 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HPGD P15428 1/20 0.38
TSPO P30536 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
SCHEMBL19612344 0.89 NPSR1 (0.43) NPSR1LTA4HTSHRIRAK4NTRK1
SCHEMBL2657446 0.84 IRAK4 (0.51) TSHRIRAK4ALDH1A1ACHEPTGS1
SCHEMBL24926216 0.83 ALDH1A1 (0.50) NPSR1LTA4HTSHRIRAK4NTRK1
SCHEMBL2069873 0.78 MCHR1 (0.46) NPSR1IRAK4ALDH1A1ACHEMCHR1
SCHEMBL9780873 0.78 LTA4H (0.55) LTA4HTSHRALDH1A1KDM4EGLA
SCHEMBL11221413 0.78 IRAK4 (0.46) NPSR1IRAK4ALDH1A1ACHEPTGS1
SCHEMBL11208196 0.77 MAPK1 (0.58) LTA4HTSHRALDH1A1KDM4EKMT2A
SCHEMBL19612403 0.77 NTRK1 (0.39) NPSR1IRAK4NTRK1NTRK3NTRK2
SCHEMBL9273369 0.76 TSHR (0.52) NPSR1LTA4HTSHRALDH1A1KDM4E
SCHEMBL19612331 0.76 MCHR1 (0.40) NPSR1IRAK4NTRK1NTRK3NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed