SCHEMBL28058694

SCHEMBL28058694

CC(C)c1cccc(C(C(C)(C)C)S(=O)(=O)O)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.57
GABRB2 P47870 2/20 0.57
GABRB1 P18505 2/20 0.57
LMNA P02545 2/20 0.57
CYP3A4 P08684 2/20 0.57
FAAH O00519 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CYP1A2 P05177 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
GABRG2 P18507 1/20 0.57
PTGS1 P23219 1/20 0.57
SLC6A2 P23975 1/20 0.57
HTR2C P28335 1/20 0.57
GABRB3 P28472 1/20 0.57
GABRA5 P31644 1/20 0.57
GABRA3 P34903 1/20 0.57
HTR2B P41595 1/20 0.57
GABRA2 P47869 1/20 0.57

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
Propofol SCHEMBL28550214 0.82 GABRA1 (0.77) GABRA1GABRB2GABRB1LMNACYP3A4
Propofol SCHEMBL28006278 0.80 GABRA1 (0.74) GABRA1GABRB2GABRB1LMNACYP3A4
Propofol SCHEMBL28796604 0.77 GABRA1 (0.63) GABRA1GABRB2GABRB1LMNACYP3A4
SCHEMBL28058764 0.76 ALOX5 (0.44) GABRA1GABRB2
Propofol SCHEMBL2414429 0.75 GABRA1 (1.00) GABRA1GABRB2GABRB1LMNACYP3A4
Propofol SCHEMBL36245 0.75 GABRA1 (1.00) GABRA1GABRB2GABRB1LMNACYP3A4
Propofol SCHEMBL10968613 0.73 GABRA1 (0.94) GABRA1GABRB2GABRB1LMNACYP3A4
Propofol SCHEMBL5036811 0.73 GABRA1 (0.94) GABRA1GABRB2GABRB1LMNACYP3A4
Propofol SCHEMBL1033835 0.73 GABRA1 (0.94) GABRA1GABRB2GABRB1LMNACYP3A4
Propofol SCHEMBL10968616 0.73 GABRA1 (0.94) GABRA1GABRB2GABRB1LMNACYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104470985-B The manufacture method of polymer composition and polymer composition BRIDGESTONE CO.,LTD. (JP) 2016-05-18 CN disclosed
CN-103154045-B Copolymer and manufacture method thereof BRIDGESTONE CO.,LTD. (JP) 2016-05-11 CN disclosed