SCHEMBL3495199

SCHEMBL3495199

CC(C)OC(O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.50
TAAR1 Q96RJ0 4/20 0.48
SIGMAR1 Q99720 4/20 0.48
SLC6A2 P23975 2/20 0.48
MAOA P21397 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
SLC18A2 Q05940 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LAP3 P28838 1/20 0.43
MDM2 Q00987 1/20 0.42

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
SCHEMBL10589698 0.87 MDM2 (0.48) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL14667580 0.80 SIGMAR1 (0.54) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL10949961 0.80 TAAR1 (0.54) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL14159040 0.80 TRPA1 (0.50) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL1279581 0.78 LAP3 (0.50) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL7268862 0.78 LAP3 (0.50) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL11491833 0.78 CYP1A2 (0.48) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL366797 0.75 TAAR1 (0.48) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL14667804 0.75 SIGMAR1 (0.48) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL1356948 0.75 TRPA1 (0.50) TRPA1TAAR1SIGMAR1SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134377-B1 FRAGRANCE DISPENSER SYMRISE AG (DE) 2012-07-18 EP claimed
US-7749678-B2 contains sulfonium compound; improved line edge roughness and pattern profile, and contrast of sensitivity and dissolution in extreme ultraviolet exposure FUJIFILM CORPORATION (JP) 2010-07-06 US disclosed
US-20050233242-A1 Photosensitive composition and pattern forming method using the same FUJI PHOTO FILM CO., LTD. 2005-10-20 US disclosed