SCHEMBL11278320

SCHEMBL11278320

COc1ccc2cc(C(C)C(=O)N3CCCC3)ccc2c1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.77
PTGS2 P35354 4/20 0.62
AKR1C3 P42330 3/20 0.62
AKR1C2 P52895 3/20 0.62
PTGS1 P23219 2/20 0.62
TSHR P16473 2/20 0.62
CDC42 P60953 1/20 0.62
RAC1 P63000 1/20 0.62
CYP1A2 P05177 1/20 0.62
SLC22A6 Q4U2R8 1/20 0.62
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SMYD3 Q9H7B4 1/20 0.56

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
SCHEMBL15934093 0.89 POLB (0.73) POLBPTGS2AKR1C3AKR1C2PTGS1
SCHEMBL11286536 0.88 POLB (0.72) POLBPTGS2AKR1C3AKR1C2PTGS1
SCHEMBL15932269 0.87 POLB (0.70) POLBPTGS2AKR1C3AKR1C2PTGS1
SCHEMBL13825986 0.86 POLB (0.77) POLBPTGS2AKR1C3AKR1C2PTGS1
SCHEMBL11443395 0.86 POLB (0.69) POLBPTGS2AKR1C3AKR1C2PTGS1
SCHEMBL16002868 0.84 POLB (0.77) POLBPTGS2AKR1C3AKR1C2PTGS1
SCHEMBL11730090 0.84 POLB (0.72) POLBPTGS2AKR1C3AKR1C2PTGS1
SCHEMBL11737850 0.80 POLB (0.65) POLBPTGS2AKR1C3AKR1C2PTGS1
SCHEMBL11454281 0.80 TDP1 (0.61) POLBPTGS2AKR1C3AKR1C2PTGS1
SCHEMBL11732002 0.80 POLB (0.60) POLBPTGS2AKR1C3AKR1C2PTGS1

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-4327022-A Heterocyclic alkyl naphthols STERLING DRUG INC. (US) 1982-04-27 US disclosed
US-4169108-A 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols STERLING DRUG INC. (US) 1979-09-25 US disclosed