SCHEMBL8474926

SCHEMBL8474926

COc1ccc2cc(C(C)COC(C)=S)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.63
AKR1C3 P42330 6/20 0.50
AKR1C2 P52895 6/20 0.50
PTGS2 P35354 4/20 0.50
PTGS1 P23219 3/20 0.50
TSHR P16473 2/20 0.50
CDC42 P60953 1/20 0.50
RAC1 P63000 1/20 0.50
CYP1A2 P05177 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
AKR1C1 Q04828 1/20 0.47
ALOX5 P09917 1/20 0.45

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
SCHEMBL10586524 0.85 ABCB11 (0.63) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL10396796 0.85 ABCB11 (0.63) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL2452047 0.81 ABCB11 (0.61) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL2452044 0.81 ABCB11 (0.61) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL27746754 0.80 ABCB11 (0.60) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL14515188 0.78 ABCB11 (0.66) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL27746756 0.78 ABCB11 (0.57) ABCB11AKR1C3AKR1C2PTGS2PTGS1
Naproxol SCHEMBL30599771 0.78 ABCB11 (1.00) ABCB11AKR1C3AKR1C2PTGS2PTGS1
Naproxol SCHEMBL8471214 0.78 ABCB11 (1.00) ABCB11AKR1C3AKR1C2PTGS2PTGS1
Naproxol SCHEMBL10395753 0.78 ABCB11 (1.00) ABCB11AKR1C3AKR1C2PTGS2PTGS1

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
US-5925673-A PREVENTING OR ALLEVIATING DAMAGE TO MAMMALIAN TISSUES ALCON LABORATORIES, INC. (US) 1999-07-20 US disclosed
WO-1999032474-A1 BENZOFURANS AND BENZOPYRANS AS CYTOPROTECTIVE AGENTS ALCON LABORATORIES, INC. (US) 1999-07-01 WO disclosed