SCHEMBL11082023

SCHEMBL11082023

CC(C)c1ccc(S(=O)(O)(O)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.45
CYP2C9 P11712 3/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
USP5 P45974 1/20 0.38
MGLL Q99685 1/20 0.38
PTGS1 P23219 2/20 0.37
KIF11 P52732 1/20 0.37
PTGS2 P35354 1/20 0.37
RNASEH1 O60930 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TRPA1 O75762 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
Hydrogen Peroxide SCHEMBL182135 0.73 TYR (0.55) TYRCYP2C9CYP2D6HIF1AHTT
Hydrogen Peroxide SCHEMBL20915049 0.73 TYR (0.55) TYRCYP2C9CYP2D6HIF1AHTT
Hydrogen Peroxide SCHEMBL461155 0.73 TYR (0.55) TYRCYP2C9CYP2D6HIF1AHTT
SCHEMBL104124 0.72 TYR (0.58) TYRCYP2C9CYP2D6HIF1AHTT
SCHEMBL9320986 0.72 LMNA (0.44) KDM4EMAPK1ALDH1A1LMNA
Formaldehyde SCHEMBL11409856 0.70 ESR1 (0.59) TYRCYP2C9CYP2D6HIF1AHTT
Hydrogen Peroxide SCHEMBL20534035 0.70 TYR (0.52) TYRCYP2C9CYP2D6HIF1AHTT
Ammonia Solution, Strong SCHEMBL7550588 0.69 TYR (0.55) TYRCYP2C9CYP2D6HIF1AHTT
SCHEMBL28912214 0.69 TYR (0.55) TYRCYP2C9CYP2D6HIF1AHTT
Water SCHEMBL11726962 0.69 TYR (0.55) TYRCYP2C9CYP2D6HIF1AHTT

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-4433152-A ANTIINFLAMMATORY AGENT, ANTIALLERGEN OR ANTICOAGULANT NIPPON CHEMIPHAR CO., LTD. (JP) 1984-02-21 US disclosed