SCHEMBL6005488

SCHEMBL6005488

CCCCCCCCCC(S)C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.47
FFAR1 O14842 2/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.45
LCK P06239 1/20 0.45
PPARD Q03181 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
CA2 P00918 1/20 0.44
FFAR4 Q5NUL3 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
FDPS P14324 3/20 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
SCHEMBL9015625 1.00 GPR84 (0.47) GPR84FFAR1ALDH1A1TSHRMAPT
SCHEMBL9015610 1.00 GPR84 (0.47) GPR84FFAR1ALDH1A1TSHRMAPT
SCHEMBL10401244 0.91
SCHEMBL7712925 0.81
SCHEMBL202757 0.80 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL201966 0.80 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8791691 0.80 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL945383 0.80 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL2447919 0.80 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1405568 0.80 GPR84 (0.59) GPR84FFAR1MAPTLCKPPARD

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-9494581-B2 System and method for Raman spectroscopy assay using paramagnetic particles UNIVERSITY OF WYOMING (US) 2016-11-15 US disclosed
US-20060240572-A1 System and method for Raman spectroscopy assay using paramagnetic particles UNIVERSITY OF WYOMING 2006-10-26 US disclosed