SCHEMBL28660955

SCHEMBL28660955

CC(C)Cc1ccc(C(C)N=C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.49
PTGS2 P35354 4/20 0.49
CXCR1 P25024 3/20 0.49
CXCR2 P25025 3/20 0.49
ALOX5 P09917 3/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.49
AKR1C3 P42330 2/20 0.49
ALB P02768 1/20 0.49
ESR1 P03372 1/20 0.49
RARB P10826 1/20 0.49
ADRB3 P13945 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR2A P28223 1/20 0.49
NR1I3 Q14994 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
CXCL8 P10145 1/20 0.49
TSHR P16473 1/20 0.49
AKR1C2 P52895 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL22279434 1.00 PTGS1 (0.49) PTGS1PTGS2CXCR1CXCR2ALOX5
SCHEMBL443529 0.84 MIF (0.46)
SCHEMBL28358275 0.83 L3MBTL1 (0.42) LMNACYP2C9AKR1C3TSHRAKR1C2
SCHEMBL22279410 0.83 L3MBTL1 (0.42) LMNACYP2C9AKR1C3TSHRAKR1C2
SCHEMBL13953683 0.80 MIF (0.41)
SCHEMBL1755331 0.80 MIF (0.41)
SCHEMBL7190192 0.80 MIF (0.35)
SCHEMBL22839887 0.80 MIF (0.35)
SCHEMBL22265178 0.79 MIF (0.46) LMNAHTR2ATSHREPHX1
SCHEMBL22265179 0.79 MIF (0.46) LMNAHTR2ATSHREPHX1

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-113660983-A Carbamate derivatives and uses thereof 诺瑟拉有限公司 2021-11-16 CN disclosed