SCHEMBL8044155

SCHEMBL8044155

CC(C#N)c1ccc(OCc2ccccc2)cc1.N#CCc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
CYP2C19 P33261 1/20 0.54
PTGS2 P35354 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ALOX5 P09917 2/20 0.47
MAOB P27338 2/20 0.47
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
BCHE P06276 3/20 0.46
FFAR1 O14842 1/20 0.44

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
SCHEMBL956766 0.87 MAOB (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2277105 0.81 MAOB (0.68) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL18982972 0.79 RXRA (0.57) ALOX5MAOBKMT2ARXRARXRB
SCHEMBL8594741 0.77 MAOB (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL20240291 0.74 GSTP1 (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL14886860 0.74 FFAR1 (0.58) ALOX5MAOBFFAR1RXRARXRB
Monobenzone SCHEMBL9465511 0.73 LMNA (0.92) LMNACYP1A2PTGS1SLC6A2CYP2C19
Monobenzone SCHEMBL8450838 0.73 LMNA (1.00) LMNACYP1A2PTGS1SLC6A2CYP2C19
Monobenzone SCHEMBL1903511 0.73 LMNA (1.00) LMNACYP1A2PTGS1SLC6A2CYP2C19
Monobenzone SCHEMBL11272996 0.73 LMNA (1.00) LMNACYP1A2PTGS1SLC6A2CYP2C19

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
WO-2000006537-A1 N-SUBSTITUTED SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006156-A1 AMIDE, CARBAMATE, AND UREA DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed