SCHEMBL29891744

SCHEMBL29891744

CC(C)(C)OC(=O)n1c(-c2ccccc2C(F)(F)F)cc2ccc(Cl)nc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
TTK P33981 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
HSD11B1 P28845 3/20 0.36
NR1H3 Q13133 3/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL21657878 1.00 NR1H2 (0.39) NR1H2LMNAPOLBHSP90AA1HSP90AB1
SCHEMBL22829314 0.88 HSP90AA1 (0.34) NR1H2HSP90AA1HSP90AB1TTKBRD4
SCHEMBL29891149 0.88 HSP90AA1 (0.34) NR1H2HSP90AA1HSP90AB1TTKBRD4
SCHEMBL22829332 0.88 HSP90AA1 (0.34) NR1H2LMNAHSP90AA1HSP90AB1TTK
SCHEMBL29890676 0.88 GPR119 (0.36) NR1H2HSP90AA1HSP90AB1TTKGPR119
SCHEMBL22829310 0.88 GPR119 (0.36) NR1H2HSP90AA1HSP90AB1TTKGPR119
SCHEMBL22838260 0.88 HSP90AA1 (0.34) NR1H2POLBHSP90AA1HSP90AB1TTK
SCHEMBL22829313 0.88 HSP90AA1 (0.34) NR1H2HSP90AA1HSP90AB1TTKBRD4
SCHEMBL29890743 0.88 HSP90AA1 (0.34) NR1H2LMNAHSP90AA1HSP90AB1TTK
SCHEMBL29891209 0.88 HSP90AA1 (0.34) NR1H2HSP90AA1HSP90AB1TTKBRD4

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-110248940-B Aryl hydrocarbon receptor (AhR) modulator compounds 菲尼克斯药品股份公司 2022-07-01 CN disclosed