SCHEMBL4535172

SCHEMBL4535172

CC(C)Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 6/20 0.48
CXCR1 P25024 5/20 0.47
ALDH1A1 P00352 1/20 0.42
PTGS2 P35354 5/20 0.42
PTGS1 P23219 4/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CXCL8 P10145 1/20 0.42
TSHR P16473 1/20 0.42
AKR1C2 P52895 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
Biphenyl SCHEMBL113983 0.92 CXCR2 (0.43) CXCR2CXCR1ALDH1A1
Biphenyl SCHEMBL4511310 0.91 CXCR2 (0.42) CXCR2CXCR1PTGS2PTGS1LMNA
Biphenyl SCHEMBL710434 0.91 CXCR2 (0.42) CXCR2CXCR1ALDH1A1
SCHEMBL8687306 0.85 CXCR2 (0.45) CXCR2CXCR1DRD2DRD1DRD4
SCHEMBL8687304 0.85 CXCR2 (0.45) CXCR2CXCR1DRD2DRD1DRD4
SCHEMBL4652349 0.84 CXCR2 (0.50) CXCR2CXCR1
SCHEMBL22623364 0.82 ALDH1A1 (0.45) CXCR2CXCR1ALDH1A1PTGS2PTGS1
SCHEMBL5272433 0.82 ALDH1A1 (0.47) CXCR2CXCR1ALDH1A1PTGS2PTGS1
SCHEMBL14062440 0.80 DRD2 (0.45) CXCR2CXCR1ALDH1A1DRD2DRD1
SCHEMBL22864844 0.80 PPARG (0.47) CXCR2CXCR1ALDH1A1PTGS2PTGS1

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
US-7598018-B1 Photosensitive polymeric material for worm optical data storage with two-photon fluorescent readout UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-10-06 US disclosed