SCHEMBL28046327

SCHEMBL28046327

CC(C)(C)OC(=O)c1c[nH]c2cccc(F)c12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.49
FFAR1 O14842 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
HTR2A P28223 2/20 0.40
CREBBP Q92793 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ALB P02768 1/20 0.38
IL2 P60568 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL2035795 0.84 NR4A2 (0.68) NR4A2FFAR1GPR84HTR2ACREBBP
SCHEMBL5592328 0.83 NR4A2 (0.49) NR4A2CREBBP
SCHEMBL3995062 0.83 NR4A2 (0.72) NR4A2GPR84CREBBP
SCHEMBL10165367 0.81 GPR84 (0.46) NR4A2FFAR1GPR84HTR2ACREBBP
SCHEMBL1034434 0.81 NR4A2 (0.38) NR4A2GPR84
SCHEMBL1759590 0.81 NR4A2 (0.47) NR4A2CREBBP
SCHEMBL1760252 0.81 NR4A2 (0.47) NR4A2CREBBP
SCHEMBL27909433 0.80 NR4A2 (0.46) NR4A2CREBBP
SCHEMBL28284795 0.80 NR4A2 (0.49) NR4A2CREBBP
SCHEMBL27771709 0.80 NR4A2 (0.49) NR4A2CREBBP

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
CN-102958918-B Novel tobacco amide derivatives or its salt FUJIFILM CORP. (JP) 2015-12-09 CN disclosed