SCHEMBL11015086

SCHEMBL11015086

COc1ccc2ccc(C(C)CO)cc2c1

nearest known ligand 0.93

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.93
AKR1C3 P42330 6/20 0.55
AKR1C2 P52895 6/20 0.55
PTGS2 P35354 3/20 0.55
PTGS1 P23219 3/20 0.55
TSHR P16473 2/20 0.55
CYP1A2 P05177 2/20 0.55
CDC42 P60953 1/20 0.55
RAC1 P63000 1/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
AKR1C1 Q04828 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALOX5 P09917 2/20 0.49
CYP2A6 P11509 1/20 0.48

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
Naproxol SCHEMBL8471214 0.97 ABCB11 (1.00) ABCB11AKR1C3AKR1C2PTGS2PTGS1
Naproxol SCHEMBL30599771 0.97 ABCB11 (1.00) ABCB11AKR1C3AKR1C2PTGS2PTGS1
Naproxol SCHEMBL29979997 0.97 ABCB11 (1.00) ABCB11AKR1C3AKR1C2PTGS2PTGS1
Naproxol SCHEMBL10395753 0.97 ABCB11 (1.00) ABCB11AKR1C3AKR1C2PTGS2PTGS1
Naproxol SCHEMBL43203 0.97 ABCB11 (1.00) ABCB11AKR1C3AKR1C2PTGS2PTGS1
Naproxol SCHEMBL9451481 0.88 ABCB11 (0.82) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL15701616 0.82 ABCB11 (0.62) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5673091 0.82 ABCB11 (0.64) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5673083 0.82 ABCB11 (0.64) ABCB11AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11017004 0.81 ABCB11 (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0149588-A2 N-(naphthyl-alkyl)-hydroxylamines SANDOZ AG (CH) 1985-07-24 EP disclosed