SCHEMBL11806102

SCHEMBL11806102

COc1ccc2cc(C(C)CNO)ccc2c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.71
ALOX5 P09917 1/20 0.56
AKR1C3 P42330 7/20 0.55
AKR1C2 P52895 7/20 0.55
PTGS2 P35354 4/20 0.55
PTGS1 P23219 3/20 0.55
TSHR P16473 2/20 0.55
CDC42 P60953 1/20 0.55
RAC1 P63000 1/20 0.55
CYP1A2 P05177 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
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50

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 SCHEMBL29979997 0.83 ABCB11 (1.00) ABCB11ALOX5AKR1C3AKR1C2PTGS2
Naproxol SCHEMBL8471214 0.83 ABCB11 (1.00) ABCB11ALOX5AKR1C3AKR1C2PTGS2
Naproxol SCHEMBL10395753 0.83 ABCB11 (1.00) ABCB11ALOX5AKR1C3AKR1C2PTGS2
Naproxol SCHEMBL43203 0.83 ABCB11 (1.00) ABCB11ALOX5AKR1C3AKR1C2PTGS2
Naproxol SCHEMBL30599771 0.83 ABCB11 (1.00) ABCB11ALOX5AKR1C3AKR1C2PTGS2
Hydrochloric Acid SCHEMBL28588162 0.83 ABCB11 (0.60) ABCB11ALOX5AKR1C3AKR1C2PTGS2
Hydrochloric Acid SCHEMBL28588163 0.83 ABCB11 (0.60) ABCB11ALOX5AKR1C3AKR1C2PTGS2
SCHEMBL12327031 0.82 ABCB11 (0.60) ABCB11ALOX5AKR1C3AKR1C2PTGS2
SCHEMBL28346869 0.81 ABCB11 (0.72) ABCB11ALOX5AKR1C3AKR1C2PTGS2
SCHEMBL9009741 0.81 ABCB11 (0.72) ABCB11ALOX5AKR1C3AKR1C2PTGS2

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-3935273-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1976-01-27 US disclosed