SCHEMBL19646301

SCHEMBL19646301

CC(C)Cc1ccc(CC(C)C)c(S(=O)(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.51
GABRB2 P47870 1/20 0.51
ALDH1A1 P00352 1/20 0.39
CXCR1 P25024 4/20 0.39
CXCR2 P25025 4/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
AKR1C3 P42330 2/20 0.39
ALB P02768 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX5 P09917 1/20 0.39
RARB P10826 1/20 0.39
ADRB3 P13945 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39
NR1I3 Q14994 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
CXCL8 P10145 1/20 0.39

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
SCHEMBL157483 0.81 ELANE (0.35) GABRA1GABRB2ALDH1A1LMNA
SCHEMBL10799084 0.81 CTDSP1 (0.43) GABRA1GABRB2ALDH1A1CXCR1CXCR2
SCHEMBL157484 0.81 RAPGEF4 (0.44) ALDH1A1CYP2C9TSHR
SCHEMBL11796234 0.80 CTDSP1 (0.42) GABRA1GABRB2ALDH1A1CXCR1CXCR2
SCHEMBL23823918 0.79 TRIM24 (0.50) ALDH1A1LMNAHTR2A
SCHEMBL9190591 0.79 GABRA1 (0.40) GABRA1GABRB2ALDH1A1CXCR1CXCR2
SCHEMBL4657831 0.77 GABRA1 (0.48) GABRA1GABRB2TSHR
SCHEMBL2292664 0.76 GABRA1 (0.71) GABRA1GABRB2ALDH1A1CXCR1CXCR2
SCHEMBL10618777 0.75 GABRA1 (0.44) GABRA1GABRB2ALDH1A1CXCR1CXCR2
Ammonia Solution, Strong SCHEMBL23749128 0.75 GABRA1 (0.47) GABRA1GABRB2TSHR

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-9829617-B2 Polymer-small molecule film or coating having reverse or flat dispersion of retardation LIGHT POLYMERS HOLDING (KY) 2017-11-28 US disclosed